
    alatis_output_mol

 35 35  0  0  0  0  0  0  0  0999 V2000
    0.7587   -2.3726    2.8631 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0011   -3.1657    0.4942 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9765   -0.7892   -0.8014 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1846   -0.1313   -1.4638 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5064    2.0611   -0.6184 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6273   -0.2255   -1.2473 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9598    2.1255   -0.6639 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2331    1.1598   -0.4493 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2385   -2.0077    1.4635 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1176   -0.0082    0.0056 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1109    1.3034   -1.7172 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5842   -0.7923    1.0062 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2270    0.8742   -0.3484 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2403   -0.1868   -0.4635 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9445   -1.5497    3.5614 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3168   -2.5811    2.8739 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2821   -3.2589    3.2371 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0659   -3.3956    0.3987 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5125   -4.0696    0.8382 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3784   -2.9306   -0.5069 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0697   -0.7181    0.2915 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0062   -1.8631   -1.0252 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0719   -0.3376   -0.8526 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3702   -0.6276   -2.4238 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8615    1.7121    0.3582 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8718    3.0911   -0.7181 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9126   -1.0524   -1.1762 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6287    0.0787   -2.3015 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6547    2.5029   -1.6513 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6599    2.8904    0.0640 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4899    2.0003    0.2076 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5072    1.4223   -1.4778 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3167   -1.8120    1.5027 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5854    1.4735   -2.5740 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4074   -0.6491    1.1827 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  9  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  9  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  6  1  0  0  0  0
  3 21  1  0  0  0  0
  3 22  1  0  0  0  0
  4  3  1  0  0  0  0
  4 23  1  0  0  0  0
  4 24  1  0  0  0  0
  5  7  1  0  0  0  0
  5 25  1  0  0  0  0
  5 26  1  0  0  0  0
  6 13  1  0  0  0  0
  6 27  1  0  0  0  0
  6 28  1  0  0  0  0
  7 13  1  0  0  0  0
  7 29  1  0  0  0  0
  7 30  1  0  0  0  0
  8 10  1  0  0  0  0
  8 31  1  0  0  0  0
  8 32  1  0  0  0  0
  9 12  1  0  0  0  0
  9 33  1  0  0  0  0
 11  4  1  0  0  0  0
 11  5  1  0  0  0  0
 11 34  1  0  0  0  0
 12 10  1  0  0  0  0
 12 35  1  0  0  0  0
 13  8  1  0  0  0  0
 14 10  2  0  0  0  0
M  END
>  <ID>
Z1262254278

>  <Barcode>
0110706308

>  <Well>
C04

>  <Plate_ID>
816280-07

>  <MW>
199.30

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

> <ALATIS_Standard_InChI>
InChI=1S/C10H21N3O/c1-9(2)12-10(14)8-13-6-3-4-11-5-7-13/h9,11H,3-8H2,1-2H3,(H,12,14)

> <ALATIS_Warnings>

> <ALATIS_Errors>

> <ALATIS_Map>
new index	atom name	original index
1	C	13
2	C	14
3	C	8
4	C	9
5	C	12
6	C	7
7	C	10
8	C	5
9	C	11
10	C	1
11	N	4
12	N	3
13	N	2
14	O	6
15	H	31
16	H	30
17	H	32
18	H	33
19	H	34
20	H	35
21	H	21
22	H	22
23	H	23
24	H	24
25	H	28
26	H	29
27	H	19
28	H	20
29	H	25
30	H	26
31	H	17
32	H	18
33	H	27
34	H	16
35	H	15


> <ALATIS_Mixture_Map>

$$$$
