
    alatis_output_mol

 23 23  0  0  0  0  0  0  0  0999 V2000
    1.6490   -6.0348   -0.0589 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3529   -5.3417    1.2656 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7255    1.9576    0.4569 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4569   -5.0750   -0.0019 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9437   -3.6239   -0.0813 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1476   -1.3433   -0.0403 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0674   -2.6954   -0.0211 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3515   -0.7384   -0.2753 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8426   -0.4732    0.1972 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1502    0.5669   -0.1698 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1488    0.6814    0.1340 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1346   -3.3581   -0.2087 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3217   -7.0773    0.0038 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2044   -5.9126   -0.9953 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3481   -5.8486    0.7654 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2739   -4.7513    1.2898 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2234   -5.0927    2.1631 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6428   -6.3964    1.3262 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7565    1.8198    0.7902 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6973    2.5843   -0.4371 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1346    2.4098    1.2581 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1745   -5.2580   -0.8801 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0291   -2.9573    0.1264 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  4  1  0  0  0  0
  1 13  1  0  0  0  0
  1 14  1  0  0  0  0
  1 15  1  0  0  0  0
  2  4  1  0  0  0  0
  2 16  1  0  0  0  0
  2 17  1  0  0  0  0
  2 18  1  0  0  0  0
  3 11  1  0  0  0  0
  3 19  1  0  0  0  0
  3 20  1  0  0  0  0
  3 21  1  0  0  0  0
  4  5  1  0  0  0  0
  4 22  1  0  0  0  0
  5  7  1  0  0  0  0
  7  6  1  0  0  0  0
  7 23  1  0  0  0  0
  8  6  1  0  0  0  0
  9  6  2  0  0  0  0
 10  8  2  0  0  0  0
 11  9  1  0  0  0  0
 11 10  1  0  0  0  0
 12  5  2  0  0  0  0
M  END
>  <ID>
Z57292369

>  <Barcode>
0110770239

>  <Well>
C09

>  <Plate_ID>
816280-08

>  <MW>
169.19

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

> <ALATIS_Standard_InChI>
InChI=1S/C6H11N5O/c1-4(2)5(12)7-6-8-10-11(3)9-6/h4H,1-3H3,(H,7,9,12)

> <ALATIS_Warnings>

> <ALATIS_Errors>

> <ALATIS_Map>
new index	atom name	original index
1	C	11
2	C	12
3	C	10
4	C	9
5	C	7
6	C	1
7	N	6
8	N	3
9	N	2
10	N	4
11	N	5
12	O	8
13	H	20
14	H	19
15	H	18
16	H	23
17	H	21
18	H	22
19	H	15
20	H	16
21	H	17
22	H	14
23	H	13


> <ALATIS_Mixture_Map>

$$$$
