
    alatis_output_mol

 21 22  0  0  0  0  0  0  0  0999 V2000
    0.0438    3.0729    1.9523 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7224    2.2700    1.0384 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9498    2.4933    2.7209 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0848   -3.3366   -3.1243 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3895    0.9136    0.9123 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6012    0.4278    1.7569 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1232    0.1132   -0.1026 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9636   -1.7066   -1.6716 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1074   -1.2187    1.8195 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -1.2870    1.1887    2.6448 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2487   -2.7265   -2.2428 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2483   -2.7336   -3.1080 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4033   -0.8903   -0.7200 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1699   -1.7068   -2.1915 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2796    0.4397   -0.3434 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2859    4.1254    2.0585 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5094    2.7022    0.4214 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5149    3.0781    3.4424 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8087   -4.1854   -3.7320 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7054   -2.9803   -2.0441 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5519   -1.0662   -0.4426 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 16  1  0  0  0  0
  2  5  1  0  0  0  0
  2 17  1  0  0  0  0
  3 10  2  0  0  0  0
  3 18  1  0  0  0  0
  4 11  1  0  0  0  0
  4 12  2  0  0  0  0
  4 19  1  0  0  0  0
  5  7  1  0  0  0  0
  6  5  2  0  0  0  0
  8 13  1  0  0  0  0
  9  6  1  0  0  0  0
 10  6  1  0  0  0  0
 11  8  1  0  0  0  0
 11 20  1  0  0  0  0
 12 14  1  0  0  0  0
 13  7  1  0  0  0  0
 13 21  1  0  0  0  0
 14  8  2  0  0  0  0
 15  7  2  0  0  0  0
M  END
>  <ID>
Z275154304

>  <Barcode>
0110770253

>  <Well>
B06

>  <Plate_ID>
816280-08

>  <MW>
223.62

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

> <ALATIS_Standard_InChI>
InChI=1S/C8H6ClN5O/c9-6-5(2-1-3-10-6)7(15)13-8-11-4-12-14-8/h1-4H,(H2,11,12,13,14,15)

> <ALATIS_Warnings>

> <ALATIS_Errors>

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


> <ALATIS_Mixture_Map>

$$$$
