
    alatis_output_mol

 31 33  0  0  0  0  0  0  0  0999 V2000
    3.2330    7.2428   -0.1532 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9215   -2.3903   -0.9780 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7371    3.7771   -0.2995 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6113    5.1608   -0.2888 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6034    2.9698   -0.1831 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2191    4.9226   -0.0201 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4365    1.0609   -0.8854 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8355   -0.7996    0.5224 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3505    5.7480   -0.1440 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3226    3.5202   -0.0634 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1789    0.7058   -0.3513 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9983    1.3427    0.0777 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2093   -0.6780   -0.3117 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9977    0.5358    0.5267 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7666   -1.4968    0.1150 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2092    0.0031   -1.1601 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1526    2.7396    0.0542 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4319   -1.0465   -0.8054 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.8926    7.6806    0.6036 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5125    7.6322   -1.1380 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2115    7.5696    0.0643 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1655   -3.1100   -0.6555 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1451   -2.5435   -2.0378 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8249   -2.5085   -0.3750 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7156    3.3181   -0.4062 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4997    5.7790   -0.3919 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7512    1.8957   -0.2123 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2429    5.3852    0.1032 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8238    2.0490   -1.0957 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6775   -1.3799    0.8882 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3042    3.2455   -0.1580 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  9  1  0  0  0  0
  1 19  1  0  0  0  0
  1 20  1  0  0  0  0
  1 21  1  0  0  0  0
  2 18  1  0  0  0  0
  2 22  1  0  0  0  0
  2 23  1  0  0  0  0
  2 24  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  3 25  1  0  0  0  0
  4  9  1  0  0  0  0
  4 26  1  0  0  0  0
  5 10  2  0  0  0  0
  5 27  1  0  0  0  0
  6 10  1  0  0  0  0
  6 28  1  0  0  0  0
  7 11  1  0  0  0  0
  7 29  1  0  0  0  0
  8 14  2  0  0  0  0
  8 15  1  0  0  0  0
  8 30  1  0  0  0  0
  9  6  2  0  0  0  0
 10 17  1  0  0  0  0
 12 11  2  0  0  0  0
 13 11  1  0  0  0  0
 14 12  1  0  0  0  0
 15 13  2  0  0  0  0
 16  7  2  0  0  0  0
 16 18  1  0  0  0  0
 17 12  1  0  0  0  0
 17 31  1  0  0  0  0
 18 13  1  0  0  0  0
M  END
>  <ID>
Z56983806

>  <Barcode>
9990529454

>  <Well>
A01

>  <Plate_ID>
816280-04

>  <MW>
239.28

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

> <ALATIS_Standard_InChI>
InChI=1S/C13H13N5/c1-9-4-3-5-10(6-9)17-12-11-7-16-18(2)13(11)15-8-14-12/h3-8H,1-2H3,(H,14,15,17)

> <ALATIS_Warnings>

> <ALATIS_Errors>

> <ALATIS_Map>
new index	atom name	original index
1	C	18
2	C	13
3	C	15
4	C	17
5	C	16
6	C	12
7	C	6
8	C	10
9	C	14
10	C	11
11	C	1
12	C	3
13	C	2
14	N	8
15	N	7
16	N	4
17	N	9
18	N	5
19	H	31
20	H	30
21	H	29
22	H	23
23	H	24
24	H	25
25	H	26
26	H	28
27	H	27
28	H	22
29	H	19
30	H	21
31	H	20


> <ALATIS_Mixture_Map>

$$$$
