
    alatis_output_mol

 40 41  0  0  0  0  0  0  0  0999 V2000
    2.7309    2.3367   -1.4668 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8854   -2.2646    3.5166 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8709   -2.9235    4.2028 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6430   -1.7220    2.2539 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6050   -3.0412    3.6330 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3787   -1.8378    1.6818 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9679   -2.5741    1.7700 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4052    0.1006   -0.3064 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7256   -1.2017   -0.2790 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1093   -1.3978    2.2531 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6312    1.3473    0.1054 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4850    0.0704    0.0905 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2911    2.3552   -1.0179 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3507   -2.5018    2.3663 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7328   -1.1833    0.2057 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7640   -1.3550    1.6683 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7596    1.2660   -0.3484 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6101    3.3479   -1.2925 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1939    3.2815   -1.1654 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3409    1.5430   -1.0473 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7535    2.2577   -2.5575 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8725   -2.1687    3.9621 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0622   -3.3392    5.1887 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4365   -1.2073    1.7183 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8149   -3.5492    4.1816 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1966   -1.4062    0.6992 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0663   -2.5797    0.6788 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4930   -3.5256    2.0394 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4450    0.0573   -1.4030 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4460    0.1735    0.0259 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2527   -2.0809    0.1110 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7247   -1.3010   -1.3731 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6256   -0.4434    2.0966 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9863   -1.4793    3.3408 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1360    2.2293   -0.3011 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6194    1.4650    1.1952 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6179    0.1489    1.1756 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4799    0.0038   -0.3451 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2214   -2.0465   -0.2590 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2484   -0.6036    2.1255 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 13  1  0  0  0  0
  1 19  1  0  0  0  0
  1 20  1  0  0  0  0
  1 21  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  2 22  1  0  0  0  0
  3  5  1  0  0  0  0
  3 23  1  0  0  0  0
  4  6  2  0  0  0  0
  4 24  1  0  0  0  0
  5 14  2  0  0  0  0
  5 25  1  0  0  0  0
  6 14  1  0  0  0  0
  6 26  1  0  0  0  0
  7 10  1  0  0  0  0
  7 27  1  0  0  0  0
  7 28  1  0  0  0  0
  8 11  1  0  0  0  0
  8 29  1  0  0  0  0
  8 30  1  0  0  0  0
  9 12  1  0  0  0  0
  9 31  1  0  0  0  0
  9 32  1  0  0  0  0
 10 16  1  0  0  0  0
 10 33  1  0  0  0  0
 10 34  1  0  0  0  0
 11 17  1  0  0  0  0
 11 35  1  0  0  0  0
 11 36  1  0  0  0  0
 12 17  1  0  0  0  0
 12 37  1  0  0  0  0
 12 38  1  0  0  0  0
 13 17  1  0  0  0  0
 14  7  1  0  0  0  0
 15  8  1  0  0  0  0
 15  9  1  0  0  0  0
 15 39  1  0  0  0  0
 16 15  1  0  0  0  0
 16 40  1  0  0  0  0
 18 13  2  0  0  0  0
M  END
>  <ID>
Z2856434883

>  <Barcode>
0110706325

>  <Well>
A11

>  <Plate_ID>
816280-07

>  <MW>
246.36

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

> <ALATIS_Standard_InChI>
InChI=1S/C15H22N2O/c1-13(18)17-11-8-15(9-12-17)16-10-7-14-5-3-2-4-6-14/h2-6,15-16H,7-12H2,1H3

> <ALATIS_Warnings>

> <ALATIS_Errors>

> <ALATIS_Map>
new index	atom name	original index
1	C	12
2	C	18
3	C	16
4	C	17
5	C	15
6	C	14
7	C	13
8	C	6
9	C	7
10	C	10
11	C	4
12	C	3
13	C	2
14	C	11
15	C	8
16	N	9
17	N	1
18	O	5
19	H	32
20	H	31
21	H	33
22	H	40
23	H	38
24	H	39
25	H	37
26	H	36
27	H	34
28	H	35
29	H	23
30	H	24
31	H	25
32	H	26
33	H	29
34	H	30
35	H	21
36	H	22
37	H	19
38	H	20
39	H	27
40	H	28


> <ALATIS_Mixture_Map>

$$$$
