
    alatis_output_mol

 34 35  0  0  0  0  0  0  0  0999 V2000
   -1.9665   -1.5648    3.8305 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0674   -1.4559    2.3165 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1970    2.1289   -2.0100 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8015    3.6483   -0.8366 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4559    0.0589   -0.2381 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7095   -1.1862   -0.2663 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7017    3.2110   -2.7173 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3636    4.6722   -1.5868 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7188    1.3316    0.1675 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4451    0.1109    0.0758 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7377   -1.2041    0.2678 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2133    2.3268   -1.0396 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3080    4.4839   -2.5276 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7309   -1.3587    1.7334 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6443    1.2621   -0.3600 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4704   -0.6852    4.2556 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4076   -2.4564    4.1302 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9683   -1.6260    4.2680 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5919   -2.3331    1.9218 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6657   -0.5679    2.0935 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5460    1.1357   -2.2655 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0627    3.9064   -0.0876 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5034    0.0149   -1.3350 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4955    0.1000    0.0991 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2729   -2.0474    0.1126 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6799   -1.2922   -1.3592 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4520    3.0675   -3.4888 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0514    5.7025   -1.4435 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2846    2.1766   -0.2380 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6940    1.4521    1.2576 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6117    0.1826    1.1567 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4407    0.0827   -0.3750 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2337   -2.0839   -0.1617 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2194   -0.5968    2.1749 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  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 14  1  0  0  0  0
  2 19  1  0  0  0  0
  2 20  1  0  0  0  0
  3 12  1  0  0  0  0
  3 21  1  0  0  0  0
  4 12  2  0  0  0  0
  4 22  1  0  0  0  0
  5  9  1  0  0  0  0
  5 11  1  0  0  0  0
  5 23  1  0  0  0  0
  5 24  1  0  0  0  0
  6 10  1  0  0  0  0
  6 25  1  0  0  0  0
  6 26  1  0  0  0  0
  7  3  2  0  0  0  0
  7 27  1  0  0  0  0
  8  4  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 15  1  0  0  0  0
 10 31  1  0  0  0  0
 10 32  1  0  0  0  0
 11  6  1  0  0  0  0
 11 33  1  0  0  0  0
 12 15  1  0  0  0  0
 13  7  1  0  0  0  0
 13  8  2  0  0  0  0
 14 11  1  0  0  0  0
 14 34  1  0  0  0  0
M  END
>  <ID>
Z2065616520

>  <Barcode>
0110706284

>  <Well>
E04

>  <Plate_ID>
816280-07

>  <MW>
205.31

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

> <ALATIS_Standard_InChI>
InChI=1S/C12H19N3/c1-2-14-11-5-9-15(10-6-11)12-3-7-13-8-4-12/h3-4,7-8,11,14H,2,5-6,9-10H2,1H3

> <ALATIS_Warnings>

> <ALATIS_Errors>

> <ALATIS_Map>
new index	atom name	original index
1	C	15
2	C	14
3	C	10
4	C	11
5	C	6
6	C	7
7	C	13
8	C	12
9	C	4
10	C	3
11	C	8
12	C	2
13	N	5
14	N	9
15	N	1
16	H	34
17	H	32
18	H	33
19	H	30
20	H	31
21	H	26
22	H	27
23	H	20
24	H	21
25	H	22
26	H	23
27	H	29
28	H	28
29	H	18
30	H	19
31	H	16
32	H	17
33	H	24
34	H	25


> <ALATIS_Mixture_Map>

$$$$
