
    alatis_output_mol

 21 21  0  0  0  0  0  0  0  0999 V2000
    0.9803   -4.9749    0.5838 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1011    2.8075   -0.1341 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1367   -3.4627    0.6391 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1954    0.6615   -0.1435 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2117   -0.7296   -0.0813 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0209    1.3153   -0.0671 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0251   -1.4279    0.0977 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0777   -2.8388    0.1199 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1671    0.6265    0.0884 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1390   -0.7516    0.1673 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0904   -5.3007    1.1334 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8778   -5.3179   -0.4509 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8529   -5.4662    1.0244 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1403    3.1384   -0.2251 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3217    3.2461    0.7746 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4490    3.1816   -1.0025 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2951   -3.1599    1.6820 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0185   -3.1774    0.0540 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1218    1.2139   -0.2575 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1535   -1.2609   -0.1643 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8971   -3.1318    0.6443 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  1  0  0  0  0
  1 11  1  0  0  0  0
  1 12  1  0  0  0  0
  1 13  1  0  0  0  0
  2  6  1  0  0  0  0
  2 14  1  0  0  0  0
  2 15  1  0  0  0  0
  2 16  1  0  0  0  0
  3  8  1  0  0  0  0
  3 17  1  0  0  0  0
  3 18  1  0  0  0  0
  4  5  2  0  0  0  0
  4 19  1  0  0  0  0
  5  7  1  0  0  0  0
  5 20  1  0  0  0  0
  6  4  1  0  0  0  0
  6  9  2  0  0  0  0
  7 10  2  0  0  0  0
  8  7  1  0  0  0  0
  8 21  1  0  0  0  0
  9 10  1  0  0  0  0
M  END
>  <ID>
Z1267773786

>  <Barcode>
0110706012

>  <Well>
C12

>  <Plate_ID>
816280-03

>  <MW>
137.19

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

> <ALATIS_Standard_InChI>
InChI=1S/C7H11N3/c1-3-8-7-5-4-6(2)9-10-7/h4-5H,3H2,1-2H3,(H,8,10)

> <ALATIS_Warnings>

> <ALATIS_Errors>

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


> <ALATIS_Mixture_Map>

$$$$
