
    alatis_output_mol

 26 27  0  0  0  0  0  0  0  0999 V2000
   -5.8207   -1.2889    0.3017 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8658   -0.7824   -1.9622 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0509    0.7210   -0.0072 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0655   -0.6757   -0.0494 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8480    1.4363    0.0232 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8687   -1.4058   -0.0742 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5374   -1.1251   -0.5086 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3263    0.6817    0.0138 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3458   -0.7055   -0.0483 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4037   -0.1178    0.0209 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7487   -0.0401    0.0686 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6517    1.0274    0.0678 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6371   -1.1789   -0.0705 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4042   -0.3621    0.3242 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4516   -2.0780   -0.1228 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5919   -1.5612    1.3382 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4218    0.1600   -2.0337 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9505   -0.6693   -2.5538 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4712   -1.5696   -2.4234 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9943    1.2635    0.0089 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0137   -1.2062   -0.0596 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8378    2.5198    0.0604 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8719   -2.4886   -0.1092 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9951   -2.0780   -0.4770 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2176    0.8586    0.0785 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0204    1.9619    0.1246 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  1  0  0  0  0
  1 14  1  0  0  0  0
  1 15  1  0  0  0  0
  1 16  1  0  0  0  0
  2  7  1  0  0  0  0
  2 17  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  2  0  0  0  0
  3 20  1  0  0  0  0
  4  6  2  0  0  0  0
  4 21  1  0  0  0  0
  5  8  1  0  0  0  0
  5 22  1  0  0  0  0
  6  9  1  0  0  0  0
  6 23  1  0  0  0  0
  7 11  1  0  0  0  0
  7 24  1  0  0  0  0
  8  9  2  0  0  0  0
  8 12  1  0  0  0  0
  9 13  1  0  0  0  0
 11 10  1  0  0  0  0
 11 25  1  0  0  0  0
 12 10  1  0  0  0  0
 12 26  1  0  0  0  0
 13 10  2  0  0  0  0
M  END
>  <ID>
Z2467208649

>  <Barcode>
0110706289

>  <Well>
D02

>  <Plate_ID>
816280-07

>  <MW>
175.24

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

> <ALATIS_Standard_InChI>
InChI=1S/C10H13N3/c1-7(2)11-10-12-8-5-3-4-6-9(8)13-10/h3-7H,1-2H3,(H2,11,12,13)

> <ALATIS_Warnings>

> <ALATIS_Errors>

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


> <ALATIS_Mixture_Map>

$$$$
