
    alatis_output_mol

 36 36  0  0  0  0  0  0  0  0999 V2000
    2.7519    1.3351   -2.8462 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2951    3.5921   -1.9001 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2559   -1.3545    2.2857 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0980   -2.5671    2.3507 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7105   -1.1842   -0.1593 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3582    0.0124   -0.2154 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4915    0.1079    0.1588 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6394    1.3422    0.0952 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7195    2.2093   -1.5933 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7922   -1.3015    1.8164 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2829    2.3270   -1.0821 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6886   -1.1948    0.3384 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7644    1.2851   -0.3303 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5939    3.3026   -1.3894 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1392    1.7698   -3.6448 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3623    0.3311   -2.6529 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7748    1.2320   -3.2243 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3428    3.5162   -2.2090 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2496    4.2307   -1.0111 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7399    4.0940   -2.6999 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7793   -0.4107    2.1079 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8069   -2.1577    1.7848 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3099   -1.5360    3.3657 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9865   -2.5286    2.2167 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2698   -2.6774    3.4274 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4779   -3.4684    1.8572 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6731   -1.2963   -1.2522 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2712   -2.0587    0.1844 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3960   -0.1075   -1.3070 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4079    0.0701    0.0912 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6179    0.2307    1.2414 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4900    0.0314   -0.2704 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1707    2.1613   -0.3975 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6500    1.5501    1.1706 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3549    1.7774   -0.8137 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3212   -0.4388    2.3005 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 10  1  0  0  0  0
  3 21  1  0  0  0  0
  3 22  1  0  0  0  0
  3 23  1  0  0  0  0
  4 10  1  0  0  0  0
  4 24  1  0  0  0  0
  4 25  1  0  0  0  0
  4 26  1  0  0  0  0
  5  7  1  0  0  0  0
  5 27  1  0  0  0  0
  5 28  1  0  0  0  0
  6  8  1  0  0  0  0
  6 12  1  0  0  0  0
  6 29  1  0  0  0  0
  6 30  1  0  0  0  0
  7 13  1  0  0  0  0
  7 31  1  0  0  0  0
  7 32  1  0  0  0  0
  8 13  1  0  0  0  0
  8 33  1  0  0  0  0
  8 34  1  0  0  0  0
  9 11  1  0  0  0  0
  9 35  1  0  0  0  0
 10 12  1  0  0  0  0
 10 36  1  0  0  0  0
 11 13  1  0  0  0  0
 12  5  1  0  0  0  0
 14 11  2  0  0  0  0
M  END
>  <ID>
Z106307058

>  <Barcode>
0110706332

>  <Well>
A04

>  <Plate_ID>
816280-07

>  <MW>
198.31

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

> <ALATIS_Standard_InChI>
InChI=1S/C11H22N2O/c1-9(2)11(14)13-7-5-12(6-8-13)10(3)4/h9-10H,5-8H2,1-4H3

> <ALATIS_Warnings>

> <ALATIS_Errors>

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


> <ALATIS_Mixture_Map>

$$$$
