
 OpenBabel04291915433D

141146  0  0  1  0  0  0  0  0999 V2000
   15.7783    2.1714  -20.3450 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8073    1.1735  -19.7353 C   0  0  3  0  0  0  0  0  0  0  0  0
   14.1036    0.4448  -20.8171 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3540    0.6986  -21.9918 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.1557   -0.5305  -20.5001 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.8631   -0.8270  -19.1274 C   0  0  3  0  0  0  0  0  0  0  0  0
   13.7143    0.0529  -18.2265 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3451   -0.3213  -16.4945 S   0  0  0  0  0  0  0  0  0  0  0  0
   14.3586    0.7265  -15.4216 C   0  0  3  0  0  0  0  0  0  0  0  0
   14.0487    2.1880  -15.7014 C   0  0  3  0  0  0  0  0  0  0  0  0
   14.8785    3.0459  -14.8230 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6627    3.8519  -15.3154 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.7685    2.9375  -13.4350 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.8521    1.9956  -12.8596 C   0  0  3  0  0  0  0  0  0  0  0  0
   12.8624    2.7163  -12.0245 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6661    2.6431  -12.2899 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.2762    3.4527  -10.9727 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.3499    4.1272  -10.1911 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0716    4.8745   -9.0816 C   0  0  2  0  0  0  0  0  0  0  0  0
   12.3571    5.3948   -8.4787 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.0183    5.8475   -9.6761 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9233    5.4554  -10.4069 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.8493    1.8710  -18.9270 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.7944    3.9404   -8.2675 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.0403    4.2399   -6.9258 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5581    3.4008   -6.1945 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.6854    5.5366   -6.3987 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9140    5.8151   -5.1510 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.5948    6.9813   -4.6769 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8312    7.2693   -3.3867 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5012    8.4752   -2.8965 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7376    8.7632   -1.6063 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4075    9.9691   -1.1161 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0283    7.8992   -5.4769 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7996    7.6207   -6.7246 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.1189    6.4545   -7.1987 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1304    1.2483  -13.9692 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1455    0.5091  -14.8257 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1595    0.2503  -13.3595 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5717    3.7679  -12.5847 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3413    2.4846  -17.0741 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.8325    1.4839  -17.9153 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0828    1.7376  -19.0900 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.0514    0.1155  -17.3898 C   0  0  3  0  0  0  0  0  0  0  0  0
   13.8093   -0.4159  -16.9075 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.1238    0.2346  -15.8794 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5841    1.2613  -15.3883 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.8406   -0.3144  -15.3811 C   0  0  1  0  0  0  0  0  0  0  0  0
   11.1324   -0.3492  -16.1824 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.0652   -1.7178  -14.8421 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5530   -2.5296  -15.8554 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.8281   -3.8267  -15.6071 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6466   -4.2886  -14.4843 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3493   -4.6941  -16.6898 C   0  0  3  0  0  0  0  0  0  0  0  0
   14.5914   -4.1627  -17.1721 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.1653   -2.2520  -18.8546 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5824   -3.1335  -19.4792 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.6374   -2.8431  -17.7328 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5739   -6.0975  -16.1509 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2578   -6.6606  -15.6398 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1085   -6.9872  -17.2613 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3361    0.5252  -14.3331 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.1302    0.2084  -13.7041 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5019   -0.7886  -14.0479 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6223    1.0536  -12.6491 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5008    0.7589  -12.0641 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.0440    1.5191  -11.1153 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8844    1.2144  -10.5104 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4121    2.0005   -9.5293 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2525    1.6958   -8.9244 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7802    2.4818   -7.9433 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7313    2.6098  -10.7391 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8528    2.9044  -11.3241 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.3096    2.1442  -12.2729 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5860   -0.7741  -18.5003 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1293    3.8090  -17.5827 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9894    0.3524  -13.6896 S   0  0  0  0  0  0  0  0  0  0  0  0
   15.0029    1.4001  -12.6167 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4746   -1.2358  -21.5472 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.4928    1.6511  -20.9480 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.2863    2.6975  -19.5640 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.2391    2.8682  -20.9523 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.3464    0.4767  -19.1281 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.8276   -0.6388  -18.9348 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.4961    1.0817  -18.4234 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.7498   -0.1354  -18.4191 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.3941    0.5383  -15.6143 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.0132    2.3763  -15.5087 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.3913    1.2989  -12.2524 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.6664    3.4247   -9.7619 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.8108    4.8239  -10.7984 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.9815    1.9870  -19.3771 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.1153    3.0930   -8.6524 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.2666    6.5639   -2.7719 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.0658    9.1806   -3.5113 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.1729    8.0579   -0.9916 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.3136   10.7124   -0.4064 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.9372    6.2331   -8.1902 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.5913    1.9450  -14.5764 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.6846   -0.1876  -14.2184 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.8290    1.2116  -15.2549 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.6375   -0.0170  -15.6067 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.6986   -0.4465  -12.7522 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.6514   -0.2758  -14.1405 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.4449    0.7706  -12.7565 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.1894    4.4020  -13.1858 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.1893    3.1520  -11.9649 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.9356    4.3691  -11.9692 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.7596    0.1503  -16.5885 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.4402   -1.2392  -17.3013 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.1387   -2.1142  -14.4824 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.7734   -1.6830  -14.0408 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.6411   -4.7289  -17.4911 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.5386   -2.3557  -17.4242 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.7932   -2.2810  -17.3918 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.6149   -2.9083  -18.8006 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.2821   -6.0628  -15.3496 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.5495   -6.6954  -16.4411 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.8814   -6.0344  -14.8581 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.4158   -7.6485  -15.2604 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.4003   -7.0219  -18.0627 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.2666   -7.9751  -16.8820 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.0349   -6.5908  -17.6211 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.8399    1.3248  -14.0573 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3563    0.3763  -10.7995 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9403    2.8386   -9.2402 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7243    0.8577   -9.2135 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1253    2.7952   -7.2099 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.2007    2.3784  -12.7378 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.8778   -0.8088  -19.3016 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.7441   -1.7620  -18.1209 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.5125   -0.3777  -18.8600 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.7530    4.4353  -16.8010 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.4211    3.7743  -18.3840 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.0558    4.2054  -17.9425 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.7847    1.1789  -11.5928 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.7848    2.4290  -12.8137 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.0385    1.2119  -12.8094 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.8194   -0.8840  -22.4971 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.4213   -1.0662  -21.4650 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.6750   -2.2833  -21.4606 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 80  1  0  0  0  0
  1 81  1  0  0  0  0
  1 82  1  0  0  0  0
  2  3  1  0  0  0  0
  2 23  1  0  0  0  0
  2 83  1  0  0  0  0
  3  5  1  0  0  0  0
  3  4  2  0  0  0  0
  5 79  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6 56  1  0  0  0  0
  6 84  1  0  0  0  0
  7  8  1  0  0  0  0
  7 85  1  0  0  0  0
  7 86  1  0  0  0  0
  8  9  1  0  0  0  0
  9 77  1  0  0  0  0
  9 10  1  0  0  0  0
  9 87  1  0  0  0  0
 10 41  1  0  0  0  0
 10 11  1  0  0  0  0
 10 88  1  0  0  0  0
 11 13  1  0  0  0  0
 11 12  2  0  0  0  0
 13 40  1  0  0  0  0
 13 14  1  0  0  0  0
 14 37  1  0  0  0  0
 14 15  1  0  0  0  0
 14 89  1  0  0  0  0
 15 17  1  0  0  0  0
 15 16  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 18 90  1  0  0  0  0
 18 91  1  0  0  0  0
 19 21  1  0  0  0  0
 19 20  1  1  0  0  0
 19 24  1  0  0  0  0
 21 22  2  0  0  0  0
 21 23  1  0  0  0  0
 23 92  1  0  0  0  0
 24 25  1  0  0  0  0
 24 93  1  0  0  0  0
 25 27  1  0  0  0  0
 25 26  2  0  0  0  0
 27 28  2  0  0  0  0
 27 36  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  2  0  0  0  0
 29 34  1  0  0  0  0
 30 31  1  0  0  0  0
 30 94  1  0  0  0  0
 31 32  2  0  0  0  0
 31 95  1  0  0  0  0
 32 33  1  0  0  0  0
 32 96  1  0  0  0  0
 33 34  2  0  0  0  0
 33 97  1  0  0  0  0
 34 35  1  0  0  0  0
 35 36  2  0  0  0  0
 36 98  1  0  0  0  0
 37 39  1  0  0  0  0
 37 38  1  0  0  0  0
 37 99  1  0  0  0  0
 38100  1  0  0  0  0
 38101  1  0  0  0  0
 38102  1  0  0  0  0
 39103  1  0  0  0  0
 39104  1  0  0  0  0
 39105  1  0  0  0  0
 40106  1  0  0  0  0
 40107  1  0  0  0  0
 40108  1  0  0  0  0
 41 76  1  0  0  0  0
 41 42  1  0  0  0  0
 42 44  1  0  0  0  0
 42 43  2  0  0  0  0
 44 75  1  0  0  0  0
 44 45  1  0  0  0  0
 44109  1  0  0  0  0
 45 46  1  0  0  0  0
 45110  1  0  0  0  0
 46 48  1  0  0  0  0
 46 47  2  0  0  0  0
 48 62  1  0  0  0  0
 48 50  1  0  0  0  0
 48 49  1  6  0  0  0
 50 51  1  0  0  0  0
 50111  1  0  0  0  0
 50112  1  0  0  0  0
 51 52  1  0  0  0  0
 52 54  1  0  0  0  0
 52 53  2  0  0  0  0
 54 59  1  0  0  0  0
 54 55  1  0  0  0  0
 54113  1  0  0  0  0
 55 58  1  0  0  0  0
 55 56  1  0  0  0  0
 56 57  2  0  0  0  0
 58114  1  0  0  0  0
 58115  1  0  0  0  0
 58116  1  0  0  0  0
 59 61  1  0  0  0  0
 59 60  1  0  0  0  0
 59117  1  0  0  0  0
 60118  1  0  0  0  0
 60119  1  0  0  0  0
 60120  1  0  0  0  0
 61121  1  0  0  0  0
 61122  1  0  0  0  0
 61123  1  0  0  0  0
 62 63  1  0  0  0  0
 62124  1  0  0  0  0
 63 65  1  0  0  0  0
 63 64  2  0  0  0  0
 65 66  2  0  0  0  0
 65 74  1  0  0  0  0
 66 67  1  0  0  0  0
 67 68  2  0  0  0  0
 67 72  1  0  0  0  0
 68 69  1  0  0  0  0
 68125  1  0  0  0  0
 69 70  2  0  0  0  0
 69126  1  0  0  0  0
 70 71  1  0  0  0  0
 70127  1  0  0  0  0
 71 72  2  0  0  0  0
 71128  1  0  0  0  0
 72 73  1  0  0  0  0
 73 74  2  0  0  0  0
 74129  1  0  0  0  0
 75130  1  0  0  0  0
 75131  1  0  0  0  0
 75132  1  0  0  0  0
 76133  1  0  0  0  0
 76134  1  0  0  0  0
 76135  1  0  0  0  0
 77 78  1  0  0  0  0
 78136  1  0  0  0  0
 78137  1  0  0  0  0
 78138  1  0  0  0  0
 79139  1  0  0  0  0
 79140  1  0  0  0  0
 79141  1  0  0  0  0
M  END
>  <SKU>
A14021

>  <Product Name>
Echinomycin

>  <CAS>
512-64-1

>  <M.Wt>
1101.25706

>  <Formula>
C51H64N12O12S2

>  <Synonyms>
Antibiotic A 654I, NSC 526417, Quinomycin A, SK 302B, NSC 13502 

>  <URL>
https://www.adooq.com/echinomycin.html

$$$$
