
    alatis_output_mol

 28 29  0  0  0  0  0  0  0  0999 V2000
    2.7778   -0.0118   -0.8934 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0859   -3.7355    2.2710 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0471   -4.7358    0.3109 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5881   -4.7983    3.0027 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5095   -5.7573    1.1288 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6235   -1.2114   -0.3725 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6985    1.1551   -0.0900 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8261   -2.5250    0.0761 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2413    0.0186    0.3966 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3504   -0.0158   -0.4483 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3174   -3.6953    0.8906 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7183   -1.2220    0.0270 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2981   -5.8105    2.4613 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5802    1.2020    0.3329 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3738   -2.4442    0.1803 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.2056    0.9953   -0.8617 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3803   -0.6511   -0.2395 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8531   -0.3770   -1.9223 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5205   -2.9507    2.7650 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2616   -4.7577   -0.7520 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4310   -4.8619    4.0756 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0849   -6.5831    0.7210 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1180   -2.1458   -0.6274 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2011    2.1177   -0.1206 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1019   -2.6430   -0.9793 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3441   -1.6352    0.4457 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2430    0.1171    0.8000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9188   -3.2037   -0.3193 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 10  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 11  2  0  0  0  0
  2 19  1  0  0  0  0
  3 11  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 22  1  0  0  0  0
  6 10  2  0  0  0  0
  6 12  1  0  0  0  0
  6 23  1  0  0  0  0
  7 14  2  0  0  0  0
  7 24  1  0  0  0  0
  8 15  1  0  0  0  0
  8 25  1  0  0  0  0
  8 26  1  0  0  0  0
  9 14  1  0  0  0  0
  9 27  1  0  0  0  0
 10  7  1  0  0  0  0
 11  8  1  0  0  0  0
 12  9  2  0  0  0  0
 13  4  2  0  0  0  0
 13  5  1  0  0  0  0
 15 12  1  0  0  0  0
 15 28  1  0  0  0  0
M  END
>  <ID>
Z1478435544

>  <Barcode>
0110770235

>  <Well>
D12

>  <Plate_ID>
816280-08

>  <MW>
199.26

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

> <ALATIS_Standard_InChI>
InChI=1S/C12H13N3/c1-10-6-12(9-14-7-10)15-8-11-2-4-13-5-3-11/h2-7,9,15H,8H2,1H3

> <ALATIS_Warnings>

> <ALATIS_Errors>

> <ALATIS_Map>
new index	atom name	original index
1	C	15
2	C	13
3	C	14
4	C	11
5	C	12
6	C	6
7	C	10
8	C	5
9	C	9
10	C	7
11	C	8
12	C	4
13	N	2
14	N	1
15	N	3
16	H	26
17	H	28
18	H	27
19	H	24
20	H	25
21	H	22
22	H	23
23	H	19
24	H	21
25	H	17
26	H	18
27	H	20
28	H	16


> <ALATIS_Mixture_Map>

$$$$
