
    alatis_output_mol

 32 33  0  0  0  0  0  0  0  0999 V2000
   -1.4351    2.9967    3.3037 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4723   -3.0094   -2.0949 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0592   -1.6307   -1.9590 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1522    3.2364    1.2523 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9984    1.6693    1.3414 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8589    2.0791    1.3794 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0119    0.4835    1.4310 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2207   -3.3794   -0.6501 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2459   -1.0521   -0.8075 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.9579    0.1507   -0.1471 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4824    2.9624    1.8433 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2889    0.8372    0.8554 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0584    0.5296   -0.5545 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0356   -2.1579    0.0615 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0889    3.9769    3.6497 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7800    2.2336    3.7349 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4391    2.8576    3.7199 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1268   -3.7163   -2.6117 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4759   -2.9570   -2.6427 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1212   -1.7124   -1.6962 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9822   -1.0320   -2.8712 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3035    3.4499    0.1861 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2718    4.1525    1.6814 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2631    1.8117    0.2851 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9357    1.4120    1.8498 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7807    2.3503    0.8538 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1251    1.9045    2.4285 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8368    0.2120    2.4789 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4550   -0.3843    0.9419 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6327   -4.0548   -0.5394 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1003   -3.8529   -0.2018 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7134   -0.6915   -1.1998 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 11  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  3  1  0  0  0  0
  2 18  1  0  0  0  0
  2 19  1  0  0  0  0
  3  9  1  0  0  0  0
  3 20  1  0  0  0  0
  3 21  1  0  0  0  0
  4  6  1  0  0  0  0
  4 11  1  0  0  0  0
  4 22  1  0  0  0  0
  4 23  1  0  0  0  0
  5  7  1  0  0  0  0
  5 24  1  0  0  0  0
  5 25  1  0  0  0  0
  6 12  1  0  0  0  0
  6 26  1  0  0  0  0
  6 27  1  0  0  0  0
  7 12  1  0  0  0  0
  7 28  1  0  0  0  0
  7 29  1  0  0  0  0
  8  2  1  0  0  0  0
  8 14  1  0  0  0  0
  8 30  1  0  0  0  0
  8 31  1  0  0  0  0
  9 10  1  0  0  0  0
  9 32  1  0  0  0  0
 11  5  1  0  0  0  0
 12 10  1  0  0  0  0
 13 10  2  0  0  0  0
 14  9  1  0  0  0  0
M  END
>  <ID>
Z31432964

>  <Barcode>
0110770234

>  <Well>
D11

>  <Plate_ID>
816280-08

>  <MW>
198.27

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

> <ALATIS_Standard_InChI>
InChI=1S/C10H18N2O2/c1-11-4-6-12(7-5-11)10(13)9-3-2-8-14-9/h9H,2-8H2,1H3/t9-/m1/s1

> <ALATIS_Warnings>

> <ALATIS_Errors>

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


> <ALATIS_Mixture_Map>

$$$$
