
    alatis_output_mol

 26 26  0  0  0  0  0  0  0  0999 V2000
   -2.4409   -0.3466    0.4315 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2351   -0.5684    2.5326 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5171    2.0910    1.1059 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3584   -4.7142    0.5557 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4438   -4.6737   -0.6681 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0914   -0.1033    0.9949 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9689   -0.2810    1.8084 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8262   -3.3291    0.9582 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0714   -1.0500    1.3175 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1229   -4.6215   -1.6110 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2042   -2.4195    1.1280 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6714    1.1516    1.1611 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6300    1.0042    1.4509 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0280   -3.1107    1.1142 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9777    0.5917    0.2567 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3525   -0.8646   -0.5290 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0401   -0.9626    1.1079 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2930    0.0547    3.4345 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2999   -1.6002    2.8816 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1103   -0.3491    1.9146 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5538    1.7529    1.1270 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2708    2.3980    0.0833 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3574    2.9163    1.8003 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2405   -5.3450    0.3960 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2095   -5.1473    1.3857 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1246   -2.6922    0.7996 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  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  7  1  0  0  0  0
  2 18  1  0  0  0  0
  2 19  1  0  0  0  0
  2 20  1  0  0  0  0
  3 13  1  0  0  0  0
  3 21  1  0  0  0  0
  3 22  1  0  0  0  0
  3 23  1  0  0  0  0
  4  8  1  0  0  0  0
  4 24  1  0  0  0  0
  4 25  1  0  0  0  0
  5  4  1  0  0  0  0
  6  9  1  0  0  0  0
  7  9  2  0  0  0  0
  8 11  1  0  0  0  0
 10  5  3  0  0  0  0
 11  9  1  0  0  0  0
 11 26  1  0  0  0  0
 12  6  2  0  0  0  0
 13  7  1  0  0  0  0
 13 12  1  0  0  0  0
 14  8  2  0  0  0  0
M  END
>  <ID>
Z1688504114

>  <Barcode>
0110770224

>  <Well>
D01

>  <Plate_ID>
816280-08

>  <MW>
192.22

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

> <ALATIS_Standard_InChI>
InChI=1S/C9H12N4O/c1-6-9(7(2)13(3)12-6)11-8(14)4-5-10/h4H2,1-3H3,(H,11,14)

> <ALATIS_Warnings>

> <ALATIS_Errors>

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


> <ALATIS_Mixture_Map>

$$$$
