
    alatis_output_mol

 27 28  0  0  0  0  0  0  0  0999 V2000
   -1.1647   -2.3319    0.1230 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0491    1.7079   -0.0494 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5087   -1.9089    0.6656 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5705   -3.1438    0.0463 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3058   -1.1922    0.6664 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4353   -3.6428   -0.5838 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3785   -1.0729    0.0344 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9421    0.7121   -0.0236 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1529   -1.6324   -0.0110 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2490   -2.8815   -0.6838 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9735   -0.7354   -0.0271 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1725   -3.4959   -1.3466 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0701    0.1061    0.0315 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3058    1.1946    0.0020 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7698   -2.9976    0.8933 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2015   -2.8517   -0.8375 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2116   -2.1187    0.3775 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7243    1.5206   -0.8876 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6201    1.6997    0.8836 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6616    2.7265   -0.1515 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3852   -1.5028    1.1629 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4907   -3.7211    0.0550 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2993   -0.2640    1.2261 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4896   -4.6284   -1.0387 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6155   -2.8123   -1.8514 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4344   -4.2863   -1.9328 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0754    0.2373    0.0724 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  1  0  0  0  0
  1 15  1  0  0  0  0
  1 16  1  0  0  0  0
  1 17  1  0  0  0  0
  2  8  1  0  0  0  0
  2 18  1  0  0  0  0
  2 19  1  0  0  0  0
  2 20  1  0  0  0  0
  3  5  2  0  0  0  0
  3 21  1  0  0  0  0
  4  3  1  0  0  0  0
  4  6  2  0  0  0  0
  4 22  1  0  0  0  0
  5  9  1  0  0  0  0
  5 23  1  0  0  0  0
  6 10  1  0  0  0  0
  6 24  1  0  0  0  0
  7 11  2  0  0  0  0
  8 11  1  0  0  0  0
  9 11  1  0  0  0  0
 10  9  2  0  0  0  0
 12 10  1  0  0  0  0
 12 25  1  0  0  0  0
 12 26  1  0  0  0  0
 13  7  1  0  0  0  0
 13 14  1  0  0  0  0
 13 27  1  0  0  0  0
 14  8  2  0  0  0  0
M  END
>  <ID>
Z1270312110

>  <Barcode>
9990532008

>  <Well>
B01

>  <Plate_ID>
816280-05

>  <MW>
187.25

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

> <ALATIS_Standard_InChI>
InChI=1S/C11H13N3/c1-7-11(8(2)14-13-7)9-5-3-4-6-10(9)12/h3-6H,12H2,1-2H3,(H,13,14)

> <ALATIS_Warnings>

> <ALATIS_Errors>

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


> <ALATIS_Mixture_Map>

$$$$
