
    alatis_output_mol

 36 37  0  0  0  0  0  0  0  0999 V2000
    1.3820   -5.0247    3.2081 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3329   -5.1390    2.2972 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7544   -3.7707    3.6847 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3377   -3.9976    1.8529 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0873   -2.6295    3.2404 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4683    3.5578   -1.4046 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3141    0.0909   -0.0443 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8580   -1.1565   -0.2623 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7977    3.1199   -2.1228 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5229    1.3251    0.3935 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6051    0.1427    0.0559 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6561   -1.4802    1.8308 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0449   -2.7296    2.3081 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5739   -1.2166    0.3090 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3106    2.3327   -1.0638 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8480    2.7567   -2.7187 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7931    1.3294   -0.2458 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4635    2.2732   -1.5031 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9068   -5.9131    3.5485 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0368   -6.1192    1.9323 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5656   -3.6792    4.4021 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1593   -4.1081    1.1487 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3894   -1.6589    3.6283 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2275    4.0985   -0.4845 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0437    4.2227   -2.0569 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4592    0.1223   -1.1315 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3097    0.0997    0.4117 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4535   -2.0162    0.0689 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7847   -1.2490   -1.3552 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0874    2.2298    0.1818 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3549    1.3283    1.4760 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8595    0.1824    1.1206 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5467    0.1568   -0.5026 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7107   -1.5604    2.1256 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2620   -0.6234    2.3867 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0951   -2.0415   -0.1970 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1 19  1  0  0  0  0
  2  4  1  0  0  0  0
  2 20  1  0  0  0  0
  3  5  2  0  0  0  0
  3 21  1  0  0  0  0
  4 13  2  0  0  0  0
  4 22  1  0  0  0  0
  5 13  1  0  0  0  0
  5 23  1  0  0  0  0
  6 15  1  0  0  0  0
  6 24  1  0  0  0  0
  6 25  1  0  0  0  0
  7 10  1  0  0  0  0
  7 26  1  0  0  0  0
  7 27  1  0  0  0  0
  8 11  1  0  0  0  0
  8 28  1  0  0  0  0
  8 29  1  0  0  0  0
  9  6  1  0  0  0  0
 10 17  1  0  0  0  0
 10 30  1  0  0  0  0
 10 31  1  0  0  0  0
 11 17  1  0  0  0  0
 11 32  1  0  0  0  0
 11 33  1  0  0  0  0
 12 14  1  0  0  0  0
 12 34  1  0  0  0  0
 12 35  1  0  0  0  0
 13 12  1  0  0  0  0
 14  7  1  0  0  0  0
 14  8  1  0  0  0  0
 14 36  1  0  0  0  0
 15 17  1  0  0  0  0
 16  9  3  0  0  0  0
 18 15  2  0  0  0  0
M  END
>  <ID>
Z1688493887

>  <Barcode>
0110770245

>  <Well>
C03

>  <Plate_ID>
816280-08

>  <MW>
242.32

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

> <ALATIS_Standard_InChI>
InChI=1S/C15H18N2O/c16-9-6-15(18)17-10-7-14(8-11-17)12-13-4-2-1-3-5-13/h1-5,14H,6-8,10-12H2

> <ALATIS_Warnings>

> <ALATIS_Errors>

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


> <ALATIS_Mixture_Map>

$$$$
