
    alatis_output_mol

 26 27  0  0  0  0  0  0  0  0999 V2000
    2.2235    1.4645    0.5885 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1259   -5.1640    0.9042 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8579   -5.7119   -0.3516 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4792   -3.8175    1.0214 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1304    0.3235    0.0291 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5019   -0.8969    0.0158 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3108   -3.5653   -1.3798 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6633   -5.4763   -2.7847 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9589   -1.5484    0.0204 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9545    0.7468    0.3012 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9473   -4.9134   -1.4963 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5796   -3.0055   -0.1177 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4329   -5.9344   -3.8260 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2240    1.3302    0.2049 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8358   -0.6206    0.1193 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.1009    0.8140    0.5768 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1617    1.9255    1.5801 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3821    2.2600   -0.1457 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0563   -5.7854    1.7940 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5783   -6.7596   -0.4277 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6763   -3.4089    2.0102 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1884    0.5290   -0.0671 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8979   -1.8981   -0.0750 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3782   -2.9474   -2.2741 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5746   -1.4101    0.9160 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5511   -1.2352   -0.8477 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 10  1  0  0  0  0
  1 16  1  0  0  0  0
  1 17  1  0  0  0  0
  1 18  1  0  0  0  0
  2  4  2  0  0  0  0
  2 19  1  0  0  0  0
  3  2  1  0  0  0  0
  3 11  2  0  0  0  0
  3 20  1  0  0  0  0
  4 12  1  0  0  0  0
  4 21  1  0  0  0  0
  5  6  2  0  0  0  0
  5 14  1  0  0  0  0
  5 22  1  0  0  0  0
  6 15  1  0  0  0  0
  6 23  1  0  0  0  0
  7 12  2  0  0  0  0
  7 24  1  0  0  0  0
  8 11  1  0  0  0  0
  9 15  1  0  0  0  0
  9 25  1  0  0  0  0
  9 26  1  0  0  0  0
 10 15  1  0  0  0  0
 11  7  1  0  0  0  0
 12  9  1  0  0  0  0
 13  8  3  0  0  0  0
 14 10  2  0  0  0  0
M  END
>  <ID>
Z319545618

>  <Barcode>
0110705983

>  <Well>
F08

>  <Plate_ID>
816280-03

>  <MW>
197.24

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

> <ALATIS_Standard_InChI>
InChI=1S/C12H11N3/c1-10-14-5-6-15(10)9-12-4-2-3-11(7-12)8-13/h2-7H,9H2,1H3

> <ALATIS_Warnings>

> <ALATIS_Errors>

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


> <ALATIS_Mixture_Map>

$$$$
