
    alatis_output_mol

 29 30  0  0  0  0  0  0  0  0999 V2000
   -0.8426   -3.0160   -1.3194 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6540   -2.4035    0.0571 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8882    6.2455    0.7472 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7810    5.4898   -0.0304 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3462    4.8668    1.2525 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8406    0.7609   -0.0468 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2257    0.0322   -0.0062 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7503    4.2850   -0.0640 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5054    1.2023   -0.0359 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3447    2.8131   -0.0089 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9511   -0.5736   -0.0278 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9934    2.5047   -0.0522 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3267   -0.9921   -0.0023 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2464    1.9694    0.0719 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0785   -2.9562   -1.9078 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1246   -4.0699   -1.2298 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6313   -2.5009   -1.8786 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5784   -2.4983    0.6391 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1414   -2.9133    0.6097 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5551    6.9492    1.5123 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6308    6.7375    0.1068 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5303    5.9206   -1.0037 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8628    5.3456    0.5478 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4227    4.7333    1.3854 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8321    4.5344    2.1631 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7482    1.3516   -0.0642 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2873   -0.1672    0.0083 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4615    4.4056   -0.8998 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3103    3.2489   -0.0899 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 15  1  0  0  0  0
  1 16  1  0  0  0  0
  1 17  1  0  0  0  0
  2 13  1  0  0  0  0
  2 18  1  0  0  0  0
  2 19  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  3 20  1  0  0  0  0
  3 21  1  0  0  0  0
  4  8  1  0  0  0  0
  4 22  1  0  0  0  0
  4 23  1  0  0  0  0
  5  8  1  0  0  0  0
  5 24  1  0  0  0  0
  5 25  1  0  0  0  0
  6  9  1  0  0  0  0
  6 26  1  0  0  0  0
  7  9  2  0  0  0  0
  7 27  1  0  0  0  0
  8 10  1  0  0  0  0
  8 28  1  0  0  0  0
 10 12  1  0  0  0  0
 11  6  2  0  0  0  0
 11 13  1  0  0  0  0
 12  9  1  0  0  0  0
 12 29  1  0  0  0  0
 13  7  1  0  0  0  0
 14 10  2  0  0  0  0
M  END
>  <ID>
Z373768900

>  <Barcode>
9990531668

>  <Well>
G04

>  <Plate_ID>
816280-06

>  <MW>
193.25

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

> <ALATIS_Standard_InChI>
InChI=1S/C10H15N3O/c1-2-13-7-9(6-11-13)12-10(14)8-4-3-5-8/h6-8H,2-5H2,1H3,(H,12,14)

> <ALATIS_Warnings>

> <ALATIS_Errors>

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


> <ALATIS_Mixture_Map>

$$$$
