
    alatis_output_mol

 36 37  0  0  1  0  0  0  0  0999 V2000
   -5.1234   -5.2468   -4.1580 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1281    4.3449   -1.4345 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0880    5.2791   -0.6687 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1920   -2.2078   -1.9321 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8715   -1.3108   -4.0503 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4181   -1.0658   -1.6856 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0931   -0.1631   -3.7986 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0813    3.6257   -2.6131 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4720   -3.8943   -4.3362 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9287   -2.3425   -3.1132 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3638   -0.0223   -2.6093 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9669    2.7538   -1.3926 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.1554    1.4929   -1.3150 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3675    4.1606   -1.3883 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6775   -3.5294   -3.2670 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5966    1.1515   -2.4267 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6681   -3.2461   -5.3600 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2385    0.8504   -0.2763 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7343   -5.9314   -4.9168 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9291   -5.6752   -3.1708 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2057   -5.1422   -4.2779 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3976    5.0521   -2.2246 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4937    4.7460   -0.4823 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6735    3.4161   -1.6129 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1241    5.0173   -0.4295 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1053    6.1746   -1.3005 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5848    5.5370    0.2689 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2000   -2.9889   -1.1780 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4176   -1.3620   -4.9861 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8683   -1.0302   -0.7523 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0814    0.6172   -4.5569 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5042    3.4405   -3.5072 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0775    4.0009   -2.8382 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8819    2.6394   -0.8103 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6190   -4.1835   -2.4967 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6380    1.8237   -3.1780 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  9  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 14  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 14  1  0  0  0  0
  3 25  1  0  0  0  0
  3 26  1  0  0  0  0
  3 27  1  0  0  0  0
  4  6  2  0  0  0  0
  4 10  1  0  0  0  0
  4 28  1  0  0  0  0
  5  7  1  0  0  0  0
  5 29  1  0  0  0  0
  6 11  1  0  0  0  0
  6 30  1  0  0  0  0
  7 11  2  0  0  0  0
  7 31  1  0  0  0  0
  8 12  1  0  0  0  0
  8 32  1  0  0  0  0
  8 33  1  0  0  0  0
  9 15  1  0  0  0  0
 10  5  2  0  0  0  0
 11 16  1  0  0  0  0
 12 13  1  0  0  0  0
 12 34  1  1  0  0  0
 14  8  1  0  0  0  0
 14 12  1  0  0  0  0
 15 10  1  0  0  0  0
 15 35  1  0  0  0  0
 16 13  1  0  0  0  0
 16 36  1  0  0  0  0
 17  9  2  0  0  0  0
 18 13  2  0  0  0  0
M  END
>  <ID>
Z1505719304

>  <Barcode>
9990529614

>  <Well>
B07

>  <Plate_ID>
816280-04

>  <MW>
246.31

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

> <ALATIS_Standard_InChI>
InChI=1S/C14H18N2O2/c1-9(17)15-10-4-6-11(7-5-10)16-13(18)12-8-14(12,2)3/h4-7,12H,8H2,1-3H3,(H,15,17)(H,16,18)/t12-/m1/s1

> <ALATIS_Warnings>

> <ALATIS_Errors>

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


> <ALATIS_Mixture_Map>

$$$$
