
    alatis_output_mol

 38 39  0  0  0  0  0  0  0  0999 V2000
    2.0311   -1.9540   -2.0646 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7301    5.3178   -2.7120 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0493    4.5042   -3.7988 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1292    4.4300   -1.5500 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7137    3.1346   -3.9627 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3674    1.6797    0.9362 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9348    3.4946   -1.1149 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3128    2.0194   -2.9824 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7090    1.6462    0.0490 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5648    0.4075    0.7719 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4956    0.4859   -1.5042 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6596   -1.0719   -0.8701 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1887    1.9595   -1.4048 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.0657   -0.6369 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7627   -1.4033   -0.1389 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3879   -2.8320   -2.0570 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9033   -1.4411   -3.0064 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0645   -2.3125   -1.9519 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6134    5.8209   -3.1250 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0578    6.1104   -2.3634 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9762    4.4036   -3.5840 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1027    5.0632   -4.7404 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0358    3.8560   -1.7949 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4446    5.0806   -0.7183 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4075    2.7801   -4.9598 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7997    3.2164   -3.9916 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5629    1.8864    1.9882 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6692    2.4594    0.6031 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8790    3.7731   -0.0504 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9646    3.8257   -1.5139 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2289    1.9815   -3.2534 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7534    1.1017   -3.3921 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4089    2.3790    0.4658 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1973    0.6722    0.1988 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0759   -0.4237    1.2740 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5719    0.5035    1.2072 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1660    0.1955   -2.5136 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3033   -0.2712   -1.3515 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 12  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  4  1  0  0  0  0
  2 19  1  0  0  0  0
  2 20  1  0  0  0  0
  3  2  1  0  0  0  0
  3  5  1  0  0  0  0
  3 21  1  0  0  0  0
  3 22  1  0  0  0  0
  4  7  1  0  0  0  0
  4 23  1  0  0  0  0
  4 24  1  0  0  0  0
  5  8  1  0  0  0  0
  5 25  1  0  0  0  0
  5 26  1  0  0  0  0
  6 10  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 13  1  0  0  0  0
  8 31  1  0  0  0  0
  8 32  1  0  0  0  0
  9  6  1  0  0  0  0
  9 13  1  0  0  0  0
  9 33  1  0  0  0  0
  9 34  1  0  0  0  0
 10 14  1  0  0  0  0
 10 35  1  0  0  0  0
 10 36  1  0  0  0  0
 11 14  1  0  0  0  0
 11 37  1  0  0  0  0
 11 38  1  0  0  0  0
 12 14  1  0  0  0  0
 13 11  1  0  0  0  0
 15 12  2  0  0  0  0
M  END
>  <ID>
Z1275599911

>  <Barcode>
9990531691

>  <Well>
E05

>  <Plate_ID>
816280-06

>  <MW>
209.33

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

> <ALATIS_Standard_InChI>
InChI=1S/C13H23NO/c1-12(15)14-10-6-9-13(11-14)7-4-2-3-5-8-13/h2-11H2,1H3

> <ALATIS_Warnings>

> <ALATIS_Errors>

> <ALATIS_Map>
new index	atom name	original index
1	C	7
2	C	14
3	C	15
4	C	13
5	C	12
6	C	8
7	C	10
8	C	11
9	C	9
10	C	6
11	C	3
12	C	2
13	C	4
14	N	1
15	O	5
16	H	22
17	H	21
18	H	20
19	H	35
20	H	36
21	H	37
22	H	38
23	H	33
24	H	34
25	H	31
26	H	32
27	H	23
28	H	24
29	H	27
30	H	28
31	H	29
32	H	30
33	H	25
34	H	26
35	H	18
36	H	19
37	H	16
38	H	17


> <ALATIS_Mixture_Map>

$$$$
