
    alatis_output_mol

 36 37  0  0  0  0  0  0  0  0999 V2000
   -0.6951   -1.8086    3.5549 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9693   -5.5185   -1.5816 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5655   -0.6598    3.0380 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7586   -1.8060    3.0783 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0154   -5.2091   -2.5437 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5415   -4.5004   -0.8240 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8370    0.6857    2.9656 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3758   -0.4126    3.0373 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6455   -3.8732   -2.7497 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1687   -3.1645   -1.0293 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6471   -0.5403   -1.4975 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5042    0.5507    2.2238 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2178   -2.8433   -1.9859 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2341   -0.1952   -0.0991 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2596    0.1061    0.8455 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4325   -0.1355    0.1380 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9597   -1.5712   -2.4065 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1579   -2.7610    3.2699 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7011   -1.7806    4.6512 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2874   -6.5508   -1.4389 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9445   -0.9202    2.0421 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4514   -0.5606    3.6766 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3563   -2.4477    3.7352 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8154   -2.2546    2.0802 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5824   -5.9928   -3.1533 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3177   -4.7339   -0.0982 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4791    1.4210    2.4654 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6640    1.0589    3.9819 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4789   -0.0302    4.0629 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3914   -0.4646    2.6317 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0625   -3.6360   -3.5379 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7028   -2.3979   -0.4794 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4480   -0.5163   -1.4204 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8879    0.3705   -2.0637 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9946    1.5300    2.1674 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7013    0.1304    0.5291 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  1 18  1  0  0  0  0
  1 19  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  2 20  1  0  0  0  0
  3  7  1  0  0  0  0
  3 21  1  0  0  0  0
  3 22  1  0  0  0  0
  4  8  1  0  0  0  0
  4 23  1  0  0  0  0
  4 24  1  0  0  0  0
  5  9  1  0  0  0  0
  5 25  1  0  0  0  0
  6 10  2  0  0  0  0
  6 26  1  0  0  0  0
  7 12  1  0  0  0  0
  7 27  1  0  0  0  0
  7 28  1  0  0  0  0
  8 12  1  0  0  0  0
  8 29  1  0  0  0  0
  8 30  1  0  0  0  0
  9 13  2  0  0  0  0
  9 31  1  0  0  0  0
 10 13  1  0  0  0  0
 10 32  1  0  0  0  0
 11 14  1  0  0  0  0
 11 33  1  0  0  0  0
 11 34  1  0  0  0  0
 12 15  1  0  0  0  0
 12 35  1  0  0  0  0
 13 17  1  0  0  0  0
 15 14  1  0  0  0  0
 15 36  1  0  0  0  0
 16 14  2  0  0  0  0
 17 11  1  0  0  0  0
M  END
>  <ID>
Z19735904

>  <Barcode>
0110705863

>  <Well>
H08

>  <Plate_ID>
816280-01

>  <MW>
233.31

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

> <ALATIS_Standard_InChI>
InChI=1S/C14H19NO2/c16-14(15-12-7-3-1-4-8-12)11-17-13-9-5-2-6-10-13/h2,5-6,9-10,12H,1,3-4,7-8,11H2,(H,15,16)

> <ALATIS_Warnings>

> <ALATIS_Errors>

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


> <ALATIS_Mixture_Map>

$$$$
