
    alatis_output_mol

 36 37  0  0  0  0  0  0  0  0999 V2000
    3.3561   -2.9991   -6.3679 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0442   -0.9123    4.2067 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1469   -0.0487    4.5933 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9583   -1.3994   -4.1552 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1224   -3.4958   -3.2925 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5045   -0.7564   -2.9909 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6231   -2.8426   -2.1630 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4042   -0.4347    2.8146 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7172    0.4430    3.2663 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1671    0.7077    1.0294 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2677   -3.5506   -5.4855 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7909   -2.7811   -4.2959 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8371   -1.4758   -1.9921 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9937    0.1242   -0.1214 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3322   -0.8702   -0.8234 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0898   -0.1893    2.2038 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7641   -4.6448   -5.7301 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1299    0.5255   -0.3641 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8798   -2.1572   -5.9159 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9256   -2.6962   -7.3257 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0960   -3.7896   -6.5331 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8689   -0.8048    4.9211 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7450   -1.9683    4.1975 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8811   -0.6160    5.1759 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1805    0.8082    5.2002 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4357   -0.7978   -4.9279 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9904   -4.5717   -3.3862 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6432    0.3195   -2.8964 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1200   -3.4275   -1.3984 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0036    0.4816    2.8805 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9746   -1.1973    2.2764 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7716    0.1684    3.1609 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6510    1.5381    3.2430 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5960    1.6820    1.2904 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8456    0.8898    0.6478 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3542   -1.3813   -0.2822 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 11  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  1  0  0  0  0
  2  8  1  0  0  0  0
  2 22  1  0  0  0  0
  2 23  1  0  0  0  0
  3  9  1  0  0  0  0
  3 24  1  0  0  0  0
  3 25  1  0  0  0  0
  4  6  2  0  0  0  0
  4 12  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
  6 13  1  0  0  0  0
  6 28  1  0  0  0  0
  7 13  2  0  0  0  0
  7 29  1  0  0  0  0
  8 16  1  0  0  0  0
  8 30  1  0  0  0  0
  8 31  1  0  0  0  0
  9 16  1  0  0  0  0
  9 32  1  0  0  0  0
  9 33  1  0  0  0  0
 10 14  1  0  0  0  0
 10 34  1  0  0  0  0
 10 35  1  0  0  0  0
 11 12  1  0  0  0  0
 12  5  2  0  0  0  0
 13 15  1  0  0  0  0
 15 14  1  0  0  0  0
 15 36  1  0  0  0  0
 16 10  1  0  0  0  0
 17 11  2  0  0  0  0
 18 14  2  0  0  0  0
M  END
>  <ID>
Z2856434916

>  <Barcode>
9990529455

>  <Well>
C11

>  <Plate_ID>
816280-04

>  <MW>
246.31

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

> <ALATIS_Standard_InChI>
InChI=1S/C14H18N2O2/c1-11(17)12-4-6-13(7-5-12)15-14(18)10-16-8-2-3-9-16/h4-7H,2-3,8-10H2,1H3,(H,15,18)

> <ALATIS_Warnings>

> <ALATIS_Errors>

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


> <ALATIS_Mixture_Map>

$$$$
