
    alatis_output_mol

 24 25  0  0  0  0  0  0  0  0999 V2000
   -4.6216   -1.2554    0.5623 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6648   -1.7641   -0.0569 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1737   -4.1100    0.2299 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0308   -1.4929   -0.1979 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5375   -3.8347    0.0969 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2211   -3.0828    0.1334 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9596   -2.5289   -0.1310 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7716   -3.4582    0.2604 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4863   -2.6003    0.1384 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6330   -2.1904   -0.3347 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.1384   -2.4838   -0.0556 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1439   -3.6991    0.6158 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2922   -1.5542   -0.0780 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4187   -3.3530    0.7414 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4591   -2.0730    0.3463 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4960   -4.5963    0.6266 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3558   -1.4806   -0.2141 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0256   -1.4790    1.5530 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3324   -0.2021    0.5167 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9835   -0.9207   -0.0884 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8560   -5.1368    0.4065 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3630   -0.4695   -0.3586 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2588   -4.6453    0.1678 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1205   -1.5804   -0.4095 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 15  1  0  0  0  0
  1 17  1  0  0  0  0
  1 18  1  0  0  0  0
  1 19  1  0  0  0  0
  2  6  2  0  0  0  0
  2 20  1  0  0  0  0
  3  6  1  0  0  0  0
  3 21  1  0  0  0  0
  4  2  1  0  0  0  0
  4 22  1  0  0  0  0
  5  3  2  0  0  0  0
  5 23  1  0  0  0  0
  6  8  1  0  0  0  0
  7  4  2  0  0  0  0
  7  5  1  0  0  0  0
  8 11  1  0  0  0  0
 10  7  1  0  0  0  0
 11  9  1  0  0  0  0
 11 24  1  0  0  0  0
 12  9  1  0  0  0  0
 13  9  2  0  0  0  0
 14 12  2  0  0  0  0
 14 15  1  0  0  0  0
 15 13  1  0  0  0  0
 16  8  2  0  0  0  0
M  END
>  <ID>
Z57292434

>  <Barcode>
0110770215

>  <Well>
E09

>  <Plate_ID>
816280-08

>  <MW>
237.65

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

> <ALATIS_Standard_InChI>
InChI=1S/C9H8ClN5O/c1-15-13-9(12-14-15)11-8(16)6-2-4-7(10)5-3-6/h2-5H,1H3,(H,11,13,16)

> <ALATIS_Warnings>

> <ALATIS_Errors>

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


> <ALATIS_Mixture_Map>

$$$$
