
    alatis_output_mol

 27 29  0  0  0  0  0  0  0  0999 V2000
   -2.4764    9.3098   -0.9995 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4667    8.4389   -0.5550 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1970    8.8286   -1.2487 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1733    7.0864   -0.3423 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9114    7.4756   -1.0488 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2826    4.7872    0.1575 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4502    4.1073   -0.6127 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0930    3.4503    0.3282 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0910    2.7627   -0.4338 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7753    0.5329    0.5174 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8860    6.5727   -0.5778 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5478    5.1496   -0.3397 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8077    2.4289    0.0175 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7069   -0.7765    0.4589 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5635   -1.0623    0.0350 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2618    0.0476   -0.1617 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4289    1.0710    0.1360 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7018   10.3617   -1.1529 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4705    8.8114   -0.3650 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4186    9.5004   -1.5995 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9689    6.4390    0.0220 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0949    7.1302   -1.2756 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4408    5.5576    0.4209 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4454    4.3257   -0.9963 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0953    3.2563    0.6974 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8249    1.9935   -0.6717 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6388    1.1085    0.8099 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1 18  1  0  0  0  0
  2  4  1  0  0  0  0
  2 19  1  0  0  0  0
  3  5  2  0  0  0  0
  3 20  1  0  0  0  0
  4 11  2  0  0  0  0
  4 21  1  0  0  0  0
  5 11  1  0  0  0  0
  5 22  1  0  0  0  0
  6  8  1  0  0  0  0
  6 23  1  0  0  0  0
  7  9  2  0  0  0  0
  7 24  1  0  0  0  0
  8 13  2  0  0  0  0
  8 25  1  0  0  0  0
  9 13  1  0  0  0  0
  9 26  1  0  0  0  0
 10 17  1  0  0  0  0
 10 27  1  0  0  0  0
 11 12  1  0  0  0  0
 12  6  2  0  0  0  0
 12  7  1  0  0  0  0
 13 17  1  0  0  0  0
 14 10  2  0  0  0  0
 15 14  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
M  END
>  <ID>
Z57479285

>  <Barcode>
9990529542

>  <Well>
H07

>  <Plate_ID>
816280-04

>  <MW>
222.25

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

> <ALATIS_Standard_InChI>
InChI=1S/C13H10N4/c1-2-4-11(5-3-1)12-6-8-13(9-7-12)17-10-14-15-16-17/h1-10H

> <ALATIS_Warnings>

> <ALATIS_Errors>

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


> <ALATIS_Mixture_Map>

$$$$
