
    alatis_output_mol

 22 23  0  0  0  0  0  0  0  0999 V2000
    1.2460   -3.5162    0.1706 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1564   -3.6113    0.1903 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3078   -4.9128    0.2407 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1002   -5.0091    0.2604 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0401   -0.6014    0.6452 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9345    0.7617    0.5103 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0152   -2.8301    0.1500 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1324   -5.6532    0.2870 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0235   -1.3518    0.0855 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0312    0.5690   -0.6136 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2004   -7.3695    0.3724 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.0786    1.1680   -1.2821 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0835    1.3673   -0.1210 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0162   -0.7647   -0.5511 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1789   -2.9537    0.1361 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1377   -3.1439    0.1495 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2750   -5.4079    0.2579 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0217   -5.5847    0.2886 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8712   -1.0398    1.1792 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6870    1.4276    0.9220 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4525    0.5275   -1.9676 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7878    2.0788   -1.6094 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  6  1  0  0  0  0
  5  9  2  0  0  0  0
  5 19  1  0  0  0  0
  6 13  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
  9 14  1  0  0  0  0
 10 14  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 10  1  0  0  0  0
M  END
>  <ID>
Z363993198

>  <Barcode>
0110770184

>  <Well>
H09

>  <Plate_ID>
816280-08

>  <MW>
205.65

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

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

> <ALATIS_Warnings>

> <ALATIS_Errors>

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


> <ALATIS_Mixture_Map>

$$$$
