
    alatis_output_mol

 30 31  0  0  0  0  0  0  0  0999 V2000
   -0.7557   -1.3660    1.7151 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4785    4.7098   -1.5731 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6590    3.0686   -2.8806 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9246    3.6830   -0.7984 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1051    2.0536   -2.0932 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6994   -1.1534   -0.2232 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3927    0.0379   -0.1641 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4806    0.1344    0.1263 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6838    1.3635    0.2114 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9493    5.4458   -3.3940 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3556    4.4029   -2.6139 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2369    2.3345   -1.0285 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4399    6.2902   -4.0220 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6993   -1.1997    0.2641 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7117    1.3313   -0.2448 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2556   -0.5636    2.2667 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2931   -2.3154    2.0059 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7970   -1.4089    2.0527 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2260    5.7437   -1.3480 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3249    2.8028   -3.6989 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2684    3.9569    0.0244 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3399    1.0237   -2.3494 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6743   -1.2549   -1.3164 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2519   -2.0279    0.1419 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4887   -0.0003   -1.2581 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4190    0.0455    0.2214 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6771    0.1693    1.2048 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4655    0.0967   -0.3518 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2489    2.1842   -0.2459 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7086    1.5182    1.2963 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 14  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  4  1  0  0  0  0
  2 19  1  0  0  0  0
  3  5  2  0  0  0  0
  3 20  1  0  0  0  0
  4 12  2  0  0  0  0
  4 21  1  0  0  0  0
  5 12  1  0  0  0  0
  5 22  1  0  0  0  0
  6  8  1  0  0  0  0
  6 23  1  0  0  0  0
  6 24  1  0  0  0  0
  7  9  1  0  0  0  0
  7 14  1  0  0  0  0
  7 25  1  0  0  0  0
  7 26  1  0  0  0  0
  8 15  1  0  0  0  0
  8 27  1  0  0  0  0
  8 28  1  0  0  0  0
  9 15  1  0  0  0  0
  9 29  1  0  0  0  0
  9 30  1  0  0  0  0
 10 11  1  0  0  0  0
 11  2  2  0  0  0  0
 11  3  1  0  0  0  0
 12 15  1  0  0  0  0
 13 10  3  0  0  0  0
 14  6  1  0  0  0  0
M  END
>  <ID>
Z2856434840

>  <Barcode>
0110705899

>  <Well>
E05

>  <Plate_ID>
816280-01

>  <MW>
201.27

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

> <ALATIS_Standard_InChI>
InChI=1S/C12H15N3/c1-14-6-8-15(9-7-14)12-4-2-11(10-13)3-5-12/h2-5H,6-9H2,1H3

> <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	8
6	C	10
7	C	11
8	C	6
9	C	7
10	C	4
11	C	12
12	C	5
13	N	2
14	N	3
15	N	1
16	H	30
17	H	28
18	H	29
19	H	26
20	H	27
21	H	21
22	H	20
23	H	22
24	H	23
25	H	24
26	H	25
27	H	16
28	H	17
29	H	18
30	H	19


> <ALATIS_Mixture_Map>

$$$$
