
 OpenBabel04291915453D

 54 58  0  0  1  0  0  0  0  0999 V2000
   -0.2122   10.7933   -4.3018 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5288    9.6013   -3.8262 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1426    8.5205   -3.3966 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5288    7.4403   -2.9656 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8717    7.4408   -2.9643 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5432    8.5216   -3.3939 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8717    9.6018   -3.8249 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1206    6.3951   -2.5501 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5288    5.3505   -2.1333 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8276    5.3510   -2.1320 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4856    8.5200   -3.3979 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0994    9.5075   -3.7918 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5258    6.4748   -2.5788 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8687    6.4753   -2.5775 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5402    7.5561   -3.0071 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8831    7.5566   -3.0058 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5546    8.6373   -3.4355 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8543    7.5550   -3.0098 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3723    7.5545   -3.0112 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2122    4.1578   -1.6592 C   0  0  3  0  0  0  0  0  0  0  0  0
   -1.0848    3.6235   -2.7832 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7200    3.1452   -1.2548 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2545    1.9218   -0.7681 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0985    1.0051   -0.4021 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6656   -0.1327    0.0505 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6113   -0.3536    0.1371 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4553    0.5631   -0.2290 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6970    1.9547   -0.7880 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8530    1.0379   -0.4219 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5761    1.2589   -0.5085 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7322    0.3421   -0.1424 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5730   -1.1184    0.4442 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2642   10.6113   -4.2305 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0472   10.9915   -5.3208 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0454   11.6380   -3.6975 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3877    6.6107   -2.6331 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5752    8.5220   -3.3929 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3877   10.4323   -4.1551 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3847    5.6452   -2.2463 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0242    8.3862   -3.3383 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3991    6.7265   -2.6747 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3793    9.2140   -3.6642 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0157    6.6171   -2.6383 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0166    7.6997   -4.0099 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0148    8.3462   -2.3865 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8283    4.4282   -0.8271 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4687    3.3531   -3.6152 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7801    4.3788   -3.0848 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6198    2.7624   -2.4409 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6879    3.3127   -1.3204 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1812    0.1755   -0.0788 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2321    2.1630   -0.8681 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5410   -0.9509    0.3785 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2449   -1.9809    0.7873 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 33  1  0  0  0  0
  1 34  1  0  0  0  0
  1 35  1  0  0  0  0
  2  3  2  0  0  0  0
  2  7  1  0  0  0  0
  3  4  1  0  0  0  0
  3 11  1  0  0  0  0
  4  8  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  5 36  1  0  0  0  0
  6  7  2  0  0  0  0
  6 37  1  0  0  0  0
  7 38  1  0  0  0  0
  8  9  2  0  0  0  0
  9 20  1  0  0  0  0
  9 10  1  0  0  0  0
 10 13  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 13 14  2  0  0  0  0
 13 18  1  0  0  0  0
 14 15  1  0  0  0  0
 14 39  1  0  0  0  0
 15 16  2  0  0  0  0
 15 40  1  0  0  0  0
 16 17  1  0  0  0  0
 16 41  1  0  0  0  0
 17 18  2  0  0  0  0
 17 42  1  0  0  0  0
 18 19  1  0  0  0  0
 19 43  1  0  0  0  0
 19 44  1  0  0  0  0
 19 45  1  0  0  0  0
 20 22  1  0  0  0  0
 20 21  1  0  0  0  0
 20 46  1  0  0  0  0
 21 47  1  0  0  0  0
 21 48  1  0  0  0  0
 21 49  1  0  0  0  0
 22 23  1  0  0  0  0
 22 50  1  0  0  0  0
 23 24  2  0  0  0  0
 23 28  1  0  0  0  0
 24 25  1  0  0  0  0
 25 32  1  0  0  0  0
 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
 27 31  1  0  0  0  0
 27 28  2  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 29 51  1  0  0  0  0
 30 31  2  0  0  0  0
 30 52  1  0  0  0  0
 32 53  1  0  0  0  0
 32 54  1  0  0  0  0
M  END
>  <SKU>
A15030

>  <Product Name>
CAL-130

>  <CAS>
1431697-74-3

>  <M.Wt>
426.47378

>  <Formula>
C23H22N8O

>  <Synonyms>
CAL130, CAL 130

>  <URL>
https://www.adooq.com/cal-130.html

$$$$
