
    alatis_output_mol

 22 23  0  0  0  0  0  0  0  0999 V2000
   -2.8112    2.6803   -0.4716 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7855    3.7565    0.2288 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4503    3.9252   -0.5473 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4113    5.0062    0.1299 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4995    0.0944    0.3853 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3131   -1.2553    0.2024 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4588    2.5602   -0.0855 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7432    5.0848   -0.2557 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7956    1.2321    0.0008 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5490    0.9656   -0.2773 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5171    6.6157   -0.3708 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.4503    1.9508   -0.6888 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9857   -1.1511    0.4858 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1136   -0.2519   -0.1727 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3980    1.8006   -0.7314 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2491    3.7372    0.5682 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4967    3.9772   -0.8384 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8498    5.9072    0.3620 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5522    0.1443    0.6519 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7600   -2.2402    0.2802 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1136    2.4298   -1.5164 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3386    1.4844   -0.8578 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  1  0  0  0  0
  1 15  1  0  0  0  0
  2  7  2  0  0  0  0
  2 16  1  0  0  0  0
  3  1  2  0  0  0  0
  3 17  1  0  0  0  0
  4  2  1  0  0  0  0
  4 18  1  0  0  0  0
  5  9  1  0  0  0  0
  5 19  1  0  0  0  0
  6 14  2  0  0  0  0
  6 20  1  0  0  0  0
  7  9  1  0  0  0  0
  8  3  1  0  0  0  0
  8  4  2  0  0  0  0
 10  9  2  0  0  0  0
 11  8  1  0  0  0  0
 12 10  1  0  0  0  0
 12 21  1  0  0  0  0
 12 22  1  0  0  0  0
 13  5  2  0  0  0  0
 13  6  1  0  0  0  0
 14 10  1  0  0  0  0
M  END
>  <ID>
Z1262398388

>  <Barcode>
0110706037

>  <Well>
A11

>  <Plate_ID>
816280-03

>  <MW>
205.65

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

> <ALATIS_Standard_InChI>
InChI=1S/C10H8ClN3/c11-8-3-1-7(2-4-8)9-5-13-6-14-10(9)12/h1-6H,(H2,12,13,14)

> <ALATIS_Warnings>

> <ALATIS_Errors>

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


> <ALATIS_Mixture_Map>

$$$$
