HTS1610-06089327
  

 37 40  0  0  0  0  0  0  0  0999 V2000
    5.7908   -4.7288    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4092   -3.5153    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.6725   -3.5153    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.8727   -2.0888    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6725   -5.9424    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2908   -4.7288    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8690   -0.9741    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0992   -3.9788    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0992   -5.4788    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3325    0.4526    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.3399   -1.7768    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3981   -0.1712    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9827   -3.9788    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4018   -1.2859    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4092   -5.9424    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9827   -5.4788    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3981   -3.2288    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3981   -6.2288    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3289    1.5674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8616    1.2554    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6972   -3.9788    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6972   -5.4788    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4870   -6.5130    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5632   -5.2634    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3841   -4.0206    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8376   -3.3966    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2163   -1.8565    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9180   -6.2604    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1844   -6.4987    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8375   -6.0610    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3841   -5.4369    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3980   -2.6288    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3980   -6.8288    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5143    2.1380    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4601    1.7012    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.2168   -3.6788    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.2168   -5.7788    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  6  1  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  1  2  0  0  0  0
  6  1  1  0  0  0  0
  7  4  1  0  0  0  0
  8  3  1  0  0  0  0
  9  5  1  0  0  0  0
 10  7  2  0  0  0  0
 11  4  2  0  0  0  0
 12 14  2  0  0  0  0
 13  2  1  0  0  0  0
 14  7  1  0  0  0  0
 15  6  1  0  0  0  0
 16 15  1  0  0  0  0
 17  8  2  0  0  0  0
 18  9  2  0  0  0  0
 19 10  1  0  0  0  0
 20 12  1  0  0  0  0
 21 17  1  0  0  0  0
 22 18  1  0  0  0  0
  9  8  1  0  0  0  0
 16 13  1  0  0  0  0
 22 21  2  0  0  0  0
 20 19  2  0  0  0  0
  5 23  1  0  0  0  0
  6 24  1  0  0  0  0
 13 25  1  0  0  0  0
 13 26  1  0  0  0  0
 14 27  1  0  0  0  0
 15 28  1  0  0  0  0
 15 29  1  0  0  0  0
 16 30  1  0  0  0  0
 16 31  1  0  0  0  0
 17 32  1  0  0  0  0
 18 33  1  0  0  0  0
 19 34  1  0  0  0  0
 20 35  1  0  0  0  0
 21 36  1  0  0  0  0
 22 37  1  0  0  0  0
M  END
> 
HTS1610-06089327-01

> 
Namiki1610

> 
NS-019526761-0000

> 
C16H15N5O

> 
293.330

> 
0

> 
1

> 
4

> 
-8.3638

> 
-1.1394

> 
1

> 
-2.5115

> 
1.5746

> 
C1CC(c3nc4ccccc4n3)N(C(c2nccnc2)=O)C1

> 
HTS1610-06089328 

> 
51269937

$$$$