
    alatis_output_mol

 40 41  0  0  0  0  0  0  0  0999 V2000
   -2.9510   -0.3340   -0.6512 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4148    1.6165   -0.4353 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8393   -2.8483    6.8188 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5730   -3.6367    6.4801 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9682   -1.6138    5.9324 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9469   -1.7440    2.9683 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6301    0.5322    3.2685 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8150   -2.1287    4.0074 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4469    0.1434    4.3328 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3361   -2.7406    6.5314 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7040   -0.7542    5.9680 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5095    0.0921   -0.3569 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8757   -0.4118    2.5730 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6076   -1.1994    4.7045 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0373   -0.5084    0.9817 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1348    0.0417    1.4652 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5368   -1.5844    5.6546 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6421   -1.4328    1.5228 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0342   -1.4238   -0.7216 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6311    0.0018    0.1401 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3009    0.0871   -1.5999 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8899    1.9925   -1.3483 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8970    2.0921    0.4247 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3733    1.9520   -0.4678 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7215   -3.4870    6.6941 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8102   -2.5413    7.8711 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6741   -4.0667    5.4748 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4606   -4.4693    7.1803 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8306   -1.0159    6.2470 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1580   -1.9329    4.8994 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3926   -2.5147    2.4378 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5657    1.5869    3.0185 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9000   -3.1918    4.2141 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9571    0.9291    4.8802 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4481   -3.3302    6.2852 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1864   -2.3830    7.5583 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5753   -0.2990    6.9572 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8563    0.0591    5.2505 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8651   -0.3374   -1.1351 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4071    0.9460    1.1092 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 12  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 12  1  0  0  0  0
  2 22  1  0  0  0  0
  2 23  1  0  0  0  0
  2 24  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  3 25  1  0  0  0  0
  3 26  1  0  0  0  0
  4 10  1  0  0  0  0
  4 27  1  0  0  0  0
  4 28  1  0  0  0  0
  5 11  1  0  0  0  0
  5 29  1  0  0  0  0
  5 30  1  0  0  0  0
  6 13  2  0  0  0  0
  6 31  1  0  0  0  0
  7 13  1  0  0  0  0
  7 32  1  0  0  0  0
  8  6  1  0  0  0  0
  8 33  1  0  0  0  0
  9  7  2  0  0  0  0
  9 34  1  0  0  0  0
 10 17  1  0  0  0  0
 10 35  1  0  0  0  0
 10 36  1  0  0  0  0
 11 17  1  0  0  0  0
 11 37  1  0  0  0  0
 11 38  1  0  0  0  0
 12 15  1  0  0  0  0
 12 39  1  0  0  0  0
 13 16  1  0  0  0  0
 14  8  2  0  0  0  0
 14  9  1  0  0  0  0
 16 15  1  0  0  0  0
 16 40  1  0  0  0  0
 17 14  1  0  0  0  0
 18 15  2  0  0  0  0
M  END
>  <ID>
Z30595739

>  <Barcode>
9990532000

>  <Well>
C08

>  <Plate_ID>
816280-05

>  <MW>
246.36

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

> <ALATIS_Standard_InChI>
InChI=1S/C15H22N2O/c1-12(2)15(18)16-13-6-8-14(9-7-13)17-10-4-3-5-11-17/h6-9,12H,3-5,10-11H2,1-2H3,(H,16,18)

> <ALATIS_Warnings>

> <ALATIS_Errors>

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


> <ALATIS_Mixture_Map>

$$$$
