
    alatis_output_mol

 30 32  0  0  0  0  0  0  0  0999 V2000
    2.5851   -1.8626   -1.5253 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2887   -2.7662   -0.3754 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2943   -2.6582    0.3949 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1935   -1.4003   -1.5222 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0160   -3.8250   -0.5677 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8365   -2.6020   -2.4082 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7166   -0.2164    0.1444 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2044   -1.2659   -0.1891 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2187   -0.2533    0.0806 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8449   -0.6064   -0.0026 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3620   -1.1478   -0.3723 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7605    0.5825    0.6134 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3672   -1.4091   -0.3351 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9322   -3.8334   -1.6755 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6075    0.8273    0.6515 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6208   -1.7544   -1.8324 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8739   -1.8090   -2.3391 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3723   -3.3445   -0.4243 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1149   -3.2853    0.0975 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2533   -2.8307    0.8999 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5227   -2.6388    1.1727 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0785   -0.4773   -2.1004 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2473   -1.4695   -1.2251 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1287   -4.7769   -0.0396 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9903   -3.7767   -0.9530 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5286   -2.6609   -3.2539 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8221   -2.4997   -2.8136 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0151   -0.0302    1.1843 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0550    0.6615   -0.4208 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0106   -0.7637    0.3376 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  8  1  0  0  0  0
  1 16  1  0  0  0  0
  1 17  1  0  0  0  0
  2  1  1  0  0  0  0
  2  8  1  0  0  0  0
  2 18  1  0  0  0  0
  2 19  1  0  0  0  0
  3 13  1  0  0  0  0
  3 20  1  0  0  0  0
  3 21  1  0  0  0  0
  4 13  1  0  0  0  0
  4 22  1  0  0  0  0
  4 23  1  0  0  0  0
  5  3  1  0  0  0  0
  5 24  1  0  0  0  0
  5 25  1  0  0  0  0
  6  4  1  0  0  0  0
  6 26  1  0  0  0  0
  6 27  1  0  0  0  0
  7  9  1  0  0  0  0
  7 28  1  0  0  0  0
  7 29  1  0  0  0  0
  8 10  1  0  0  0  0
  8 30  1  0  0  0  0
  9 11  2  0  0  0  0
 10 11  1  0  0  0  0
 12 10  2  0  0  0  0
 13  7  1  0  0  0  0
 14  5  1  0  0  0  0
 14  6  1  0  0  0  0
 15  9  1  0  0  0  0
 15 12  1  0  0  0  0
M  END
>  <ID>
Z295848548

>  <Barcode>
9990531721

>  <Well>
B02

>  <Plate_ID>
816280-06

>  <MW>
209.25

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

> <ALATIS_Standard_InChI>
InChI=1S/C10H15N3O2/c1-2-8(1)10-11-9(15-12-10)7-13-3-5-14-6-4-13/h8H,1-7H2

> <ALATIS_Warnings>

> <ALATIS_Errors>

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


> <ALATIS_Mixture_Map>

$$$$
