
    alatis_output_mol

 27 28  0  0  0  0  0  0  0  0999 V2000
    3.4584   -2.5934    0.0516 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2589   -4.5674   -2.7151 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9004    0.9307    1.0225 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8489   -0.4839    1.3686 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8660    1.5412    0.4126 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7541   -1.1967    1.0470 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9422   -2.4530   -0.0510 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.6056   -4.1097   -1.3234 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2966    0.7932    0.0852 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5173   -1.0226   -0.0738 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4834   -3.0576   -1.2919 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4258    1.1212   -0.5002 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1871   -0.0169   -0.6090 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3077   -0.5590    0.4030 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1148   -4.6147   -0.3204 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9666   -2.1211   -0.7977 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8362   -2.1292    0.9700 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7480   -3.6493    0.0566 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5684   -3.9652   -3.0988 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0351   -5.6202   -2.6887 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1210   -4.4707   -3.3813 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8059    1.4806    1.2636 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7007   -0.9327    1.8693 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9014    2.5916    0.1457 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6624   -2.2537    1.2647 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4992   -2.9706    0.8064 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7755   -2.6161   -2.1560 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  1  0  0  0  0
  1 16  1  0  0  0  0
  1 17  1  0  0  0  0
  1 18  1  0  0  0  0
  2  8  1  0  0  0  0
  2 19  1  0  0  0  0
  2 20  1  0  0  0  0
  2 21  1  0  0  0  0
  3  5  2  0  0  0  0
  3 22  1  0  0  0  0
  4  3  1  0  0  0  0
  4  6  2  0  0  0  0
  4 23  1  0  0  0  0
  5  9  1  0  0  0  0
  5 24  1  0  0  0  0
  6 14  1  0  0  0  0
  6 25  1  0  0  0  0
  7 10  1  0  0  0  0
  7 26  1  0  0  0  0
  8 11  1  0  0  0  0
  9 12  2  0  0  0  0
  9 14  1  0  0  0  0
 11  7  1  0  0  0  0
 11 27  1  0  0  0  0
 12 13  1  0  0  0  0
 13 10  2  0  0  0  0
 14 10  1  0  0  0  0
 15  8  2  0  0  0  0
M  END
>  <ID>
Z131516158

>  <Barcode>
0110705970

>  <Well>
G06

>  <Plate_ID>
816280-03

>  <MW>
204.23

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

> <ALATIS_Standard_InChI>
InChI=1S/C10H12N4O/c1-7(11-8(2)15)10-13-12-9-5-3-4-6-14(9)10/h3-7H,1-2H3,(H,11,15)/t7-/m0/s1

> <ALATIS_Warnings>

> <ALATIS_Errors>

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


> <ALATIS_Mixture_Map>

$$$$
