
    alatis_output_mol

 27 28  0  0  0  0  0  0  0  0999 V2000
   -0.6975   -0.0305   -4.0656 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2420    0.8206    0.5463 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4639   -1.5612    0.8923 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6272    0.9288    0.3976 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8488   -1.4523    0.7451 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6722    0.7200   -2.9194 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2386   -1.0353   -4.1278 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1615   -0.5402    1.0404 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6461   -0.4263    0.7910 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4247   -0.2078    0.5016 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2937    0.0939   -0.0294 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1000   -0.4691   -2.0871 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1331   -0.0736    0.3464 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.2082    0.5147   -1.9280 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1366   -1.2875   -3.1517 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0329   -0.7384   -1.0941 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9026    1.2497    0.1040 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4057    0.1582   -4.8596 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6329    1.7230    0.4861 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0334   -2.5372    1.1064 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0749    1.9023    0.2158 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4719   -2.3380    0.8362 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3720    1.5338   -2.7521 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2982   -1.6865   -4.9954 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8616   -1.5879    1.1617 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9293   -0.0481    1.9938 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5942   -1.5568   -1.2678 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  2  0  0  0  0
  1  7  1  0  0  0  0
  1 18  1  0  0  0  0
  2  9  2  0  0  0  0
  2 19  1  0  0  0  0
  3  9  1  0  0  0  0
  3 20  1  0  0  0  0
  4  2  1  0  0  0  0
  4 21  1  0  0  0  0
  5  3  2  0  0  0  0
  5 10  1  0  0  0  0
  5 22  1  0  0  0  0
  6 14  1  0  0  0  0
  6 23  1  0  0  0  0
  7 15  2  0  0  0  0
  7 24  1  0  0  0  0
  8 11  1  0  0  0  0
  8 25  1  0  0  0  0
  8 26  1  0  0  0  0
  9  8  1  0  0  0  0
 10  4  2  0  0  0  0
 11 16  1  0  0  0  0
 12 16  1  0  0  0  0
 13 10  1  0  0  0  0
 14 12  2  0  0  0  0
 15 12  1  0  0  0  0
 16 27  1  0  0  0  0
 17 11  2  0  0  0  0
M  END
>  <ID>
Z203581214

>  <Barcode>
0110705906

>  <Well>
D03

>  <Plate_ID>
816280-01

>  <MW>
247.69

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

> <ALATIS_Standard_InChI>
InChI=1S/C12H10ClN3O/c13-10-4-2-9(3-5-10)8-11(17)16-12-14-6-1-7-15-12/h1-7H,8H2,(H,14,15,16,17)

> <ALATIS_Warnings>

> <ALATIS_Errors>

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


> <ALATIS_Mixture_Map>

$$$$
