
    alatis_output_mol

 30 31  0  0  0  0  0  0  0  0999 V2000
    2.2699    3.1533   -3.0471 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9147    4.4744   -2.7875 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8925    2.1377   -2.1608 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0595   -2.4798    2.2111 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7523   -1.2203    1.7168 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4088    0.1228   -0.1947 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6702   -1.0563   -0.2963 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7142    1.4365    0.2282 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4751    0.1984    0.1027 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8294    3.7613   -0.7533 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2002    4.7742   -1.6367 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1495    2.4183   -1.0065 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7586    6.4020   -1.2931 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.5151   -3.5246    2.6211 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7146   -1.1084    0.2416 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7119    1.4308   -0.1388 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8260    2.9066   -3.9469 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1951    5.2597   -3.4832 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1556    1.1147   -2.4174 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2911   -0.3665    2.2237 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7968   -1.2725    2.0475 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4433    0.1168    0.1695 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4826    0.0987   -1.2907 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2298   -1.9563   -0.0144 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6055   -1.0988   -1.3925 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2649    2.2602   -0.2418 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7976    1.5843    1.3106 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7139    0.1520    1.1724 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4433    0.1890   -0.4105 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2903    4.0207    0.1548 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 17  1  0  0  0  0
  2 11  1  0  0  0  0
  2 18  1  0  0  0  0
  3 12  2  0  0  0  0
  3 19  1  0  0  0  0
  4  5  1  0  0  0  0
  5 15  1  0  0  0  0
  5 20  1  0  0  0  0
  5 21  1  0  0  0  0
  6  8  1  0  0  0  0
  6 22  1  0  0  0  0
  6 23  1  0  0  0  0
  7  9  1  0  0  0  0
  7 24  1  0  0  0  0
  7 25  1  0  0  0  0
  8 16  1  0  0  0  0
  8 26  1  0  0  0  0
  8 27  1  0  0  0  0
  9 16  1  0  0  0  0
  9 28  1  0  0  0  0
  9 29  1  0  0  0  0
 10 12  1  0  0  0  0
 10 30  1  0  0  0  0
 11 10  2  0  0  0  0
 12 16  1  0  0  0  0
 13 11  1  0  0  0  0
 14  4  3  0  0  0  0
 15  6  1  0  0  0  0
 15  7  1  0  0  0  0
M  END
>  <ID>
Z2856434806

>  <Barcode>
0110705823

>  <Well>
C09

>  <Plate_ID>
816280-02

>  <MW>
235.72

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

> <ALATIS_Standard_InChI>
InChI=1S/C12H14ClN3/c13-11-2-1-3-12(10-11)16-8-6-15(5-4-14)7-9-16/h1-3,10H,5-9H2

> <ALATIS_Warnings>

> <ALATIS_Errors>

> <ALATIS_Map>
new index	atom name	original index
1	C	15
2	C	16
3	C	14
4	C	6
5	C	12
6	C	9
7	C	10
8	C	8
9	C	7
10	C	5
11	C	11
12	C	3
13	Cl	13
14	N	2
15	N	4
16	N	1
17	H	29
18	H	30
19	H	28
20	H	26
21	H	27
22	H	22
23	H	23
24	H	24
25	H	25
26	H	20
27	H	21
28	H	18
29	H	19
30	H	17


> <ALATIS_Mixture_Map>

$$$$
