
    alatis_output_mol

 33 33  0  0  0  0  0  0  0  0999 V2000
    2.8505   -0.0718   -0.5054 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8142    0.3056    1.6856 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8146    1.5345   -1.7350 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4539   -1.6534    2.2018 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9868   -1.4669    1.7569 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6653    1.3037    0.1508 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4214    0.0006   -0.1903 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6452   -1.2168   -0.0531 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4734    0.1056    0.1871 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5431   -1.8880    3.6469 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7516    1.3307   -0.2836 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7904   -1.2269    0.3183 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4637    0.8322   -0.4078 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4116   -0.8966   -0.0497 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7540   -0.3035   -1.5715 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5882    1.0739    1.8125 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9715    0.6344    2.2934 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1968   -0.6224    2.1259 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8360    1.7591   -2.0574 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2215    2.4088   -2.0279 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4505    0.6735   -2.3049 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0464   -0.7610    1.9770 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9034   -2.4985    1.6715 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5618   -0.6657    2.3583 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4499   -2.3871    2.0276 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2054    2.1535   -0.2855 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7170    1.4758    1.2321 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4945   -0.0908   -1.2821 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4616    0.0848    0.1387 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6749   -1.4394   -1.1295 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1572   -2.0684    0.4151 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5262   -1.9291    3.9154 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1460   -1.0950    4.1433 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  9  1  0  0  0  0
  1 13  1  0  0  0  0
  1 14  1  0  0  0  0
  1 15  1  0  0  0  0
  2  9  1  0  0  0  0
  2 16  1  0  0  0  0
  2 17  1  0  0  0  0
  2 18  1  0  0  0  0
  3 11  1  0  0  0  0
  3 19  1  0  0  0  0
  3 20  1  0  0  0  0
  3 21  1  0  0  0  0
  4  5  1  0  0  0  0
  4 22  1  0  0  0  0
  4 23  1  0  0  0  0
  5 12  1  0  0  0  0
  5 24  1  0  0  0  0
  5 25  1  0  0  0  0
  6 11  1  0  0  0  0
  6 26  1  0  0  0  0
  6 27  1  0  0  0  0
  7  6  1  0  0  0  0
  7 28  1  0  0  0  0
  7 29  1  0  0  0  0
  8  9  1  0  0  0  0
  8 30  1  0  0  0  0
  8 31  1  0  0  0  0
  9 11  1  0  0  0  0
 10  4  1  0  0  0  0
 10 32  1  0  0  0  0
 10 33  1  0  0  0  0
 12  7  1  0  0  0  0
 12  8  1  0  0  0  0
M  END
>  <ID>
Z1992316315

>  <Barcode>
9990531685

>  <Well>
E11

>  <Plate_ID>
816280-06

>  <MW>
171.29

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

> <ALATIS_Standard_InChI>
InChI=1S/C9H21N3/c1-9(2)8-12(5-4-10)7-6-11(9)3/h4-8,10H2,1-3H3

> <ALATIS_Warnings>

> <ALATIS_Errors>

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


> <ALATIS_Mixture_Map>

$$$$
