
    alatis_output_mol

 22 24  0  0  0  0  0  0  0  0999 V2000
    0.9695    4.8779    0.5598 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0907    3.9576   -0.0473 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9964    3.8160    0.1616 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2965   -0.1305   -0.0628 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0044   -0.4834   -0.0114 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2856    0.7888   -0.0879 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2193   -0.5920   -0.0439 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8702    1.5560   -0.0854 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6263    1.0597   -0.1128 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4699   -1.1503   -0.0297 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9329   -1.2811   -0.0074 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0368    0.8632   -0.0428 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9010    2.9475   -0.1116 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8659    5.0091    1.6432 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0819    5.8555    0.0853 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4403    4.2444   -1.0440 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9333    3.7418    0.6112 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5749    4.0396   -0.7395 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6510    3.4792    0.9691 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3771   -0.1905   -0.0528 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9697   -0.9802    0.0151 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0502    1.9743   -0.1452 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 14  1  0  0  0  0
  1 15  1  0  0  0  0
  2 13  1  0  0  0  0
  2 16  1  0  0  0  0
  2 17  1  0  0  0  0
  3  1  1  0  0  0  0
  3 13  1  0  0  0  0
  3 18  1  0  0  0  0
  3 19  1  0  0  0  0
  4  9  1  0  0  0  0
  4 10  2  0  0  0  0
  4 20  1  0  0  0  0
  5 11  1  0  0  0  0
  5 12  2  0  0  0  0
  5 21  1  0  0  0  0
  7  6  1  0  0  0  0
  8  6  2  0  0  0  0
  9  6  1  0  0  0  0
  9 22  1  0  0  0  0
 10  7  1  0  0  0  0
 11  7  2  0  0  0  0
 12  8  1  0  0  0  0
 13  8  1  0  0  0  0
M  END
>  <ID>
Z373221060

>  <Barcode>
0110705780

>  <Well>
G04

>  <Plate_ID>
816280-02

>  <MW>
175.19

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

> <ALATIS_Standard_InChI>
InChI=1S/C8H9N5/c1-2-13(3-1)8-6-7(10-4-9-6)11-5-12-8/h4-5H,1-3H2,(H,9,10,11,12)

> <ALATIS_Warnings>

> <ALATIS_Errors>

> <ALATIS_Map>
new index	atom name	original index
1	C	11
2	C	12
3	C	13
4	C	9
5	C	10
6	C	1
7	C	3
8	C	2
9	N	7
10	N	4
11	N	8
12	N	6
13	N	5
14	H	17
15	H	18
16	H	19
17	H	20
18	H	21
19	H	22
20	H	15
21	H	16
22	H	14


> <ALATIS_Mixture_Map>

$$$$
