
    alatis_output_mol

 34 35  0  0  0  0  0  0  0  0999 V2000
    5.7793    1.5646    0.4257 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4728    2.3095    0.1755 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5650    0.0549    0.3981 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1897   -5.8042   -2.1808 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3894    1.8961    1.1718 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5007   -0.3692    1.4089 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6017   -4.4922   -1.9463 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3447   -6.4041   -1.2633 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3624   -0.1172    0.0194 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3267   -4.5191    0.0616 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1655    0.3740    1.2376 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1319   -3.8063   -0.8231 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8934   -1.5531    0.2020 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9247   -5.8017   -0.1345 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4712   -2.4410   -0.6872 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0646   -1.8318    1.0629 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5212    1.8484   -0.3269 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1865    1.8574    1.4000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6482    3.3884    0.2558 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1334    2.1205   -0.8493 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2735   -0.2582   -0.6106 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5084   -0.4523    0.6271 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5038   -6.3401   -3.0696 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6831    2.2462    2.1685 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4535    2.4092    0.9260 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3609   -1.4563    1.3537 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8830   -0.1671    2.4180 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2555   -4.0117   -2.6676 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9671   -7.4111   -1.4180 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4512    0.4835   -0.0913 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9216   -0.0018   -0.9133 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9634   -4.0923    0.9905 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5594    0.1693    2.1327 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1014   -2.0631   -1.3831 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1 17  1  0  0  0  0
  1 18  1  0  0  0  0
  2  5  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  7  2  0  0  0  0
  4 23  1  0  0  0  0
  5 11  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 12  1  0  0  0  0
  7 28  1  0  0  0  0
  8  4  1  0  0  0  0
  8 14  2  0  0  0  0
  8 29  1  0  0  0  0
  9 13  1  0  0  0  0
  9 30  1  0  0  0  0
  9 31  1  0  0  0  0
 10 12  2  0  0  0  0
 10 32  1  0  0  0  0
 11  9  1  0  0  0  0
 11 33  1  0  0  0  0
 12 15  1  0  0  0  0
 14 10  1  0  0  0  0
 15 13  1  0  0  0  0
 15 34  1  0  0  0  0
 16 13  2  0  0  0  0
M  END
>  <ID>
Z31792168

>  <Barcode>
9990529538

>  <Well>
H03

>  <Plate_ID>
816280-04

>  <MW>
218.30

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

> <ALATIS_Standard_InChI>
InChI=1S/C13H18N2O/c16-13(9-11-5-2-1-3-6-11)15-12-7-4-8-14-10-12/h4,7-8,10-11H,1-3,5-6,9H2,(H,15,16)

> <ALATIS_Warnings>

> <ALATIS_Errors>

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


> <ALATIS_Mixture_Map>

$$$$
