
    alatis_output_mol

 22 22  0  0  0  0  0  0  0  0999 V2000
   -4.3647    2.2836    1.1768 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9662   -2.1189    0.9070 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8581    2.0780    1.2294 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7803    2.4847    0.0164 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3682    0.3194    0.8720 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3748    1.0525   -0.0290 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2419    2.6265    0.0212 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7779    0.2270   -1.0506 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3198   -0.9929   -0.8023 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3623   -0.9382    0.3517 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6189    3.3481    1.1484 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8001    1.8008    0.2952 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8343    1.8464    2.0641 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5701   -2.2686    1.9149 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7279   -2.9831    0.2814 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0475   -1.9683    0.9405 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4604    2.5757    2.1217 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6646    1.0040    1.3246 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3862    2.9917   -0.8711 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3458    2.9906    0.8867 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8544    0.5731    1.8018 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6018    2.1223   -0.7921 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 10  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  7  1  0  0  0  0
  3 17  1  0  0  0  0
  3 18  1  0  0  0  0
  4  6  1  0  0  0  0
  4 19  1  0  0  0  0
  4 20  1  0  0  0  0
  5  6  2  0  0  0  0
  5 10  1  0  0  0  0
  5 21  1  0  0  0  0
  6  8  1  0  0  0  0
  7  4  1  0  0  0  0
  7 22  1  0  0  0  0
  8  9  2  0  0  0  0
 10  9  1  0  0  0  0
M  END
>  <ID>
Z1271660837

>  <Barcode>
0110706260

>  <Well>
G04

>  <Plate_ID>
816280-07

>  <MW>
140.19

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

> <ALATIS_Standard_InChI>
InChI=1S/C6H12N4/c1-3-7-4-6-5-10(2)9-8-6/h5,7H,3-4H2,1-2H3

> <ALATIS_Warnings>

> <ALATIS_Errors>

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


> <ALATIS_Mixture_Map>

$$$$
