
    alatis_output_mol

 30 32  0  0  0  0  0  0  0  0999 V2000
   -3.9224    4.6004   -1.4140 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2189   -0.8546   -0.0481 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1442    0.5293   -0.2635 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0525   -1.5950    0.0651 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9039    1.1941   -0.3511 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4942   -1.5824    0.0478 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7181    3.9936    0.3439 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4260   -0.3884   -0.0535 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8054    5.3484    0.1123 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5882    4.4623   -0.7723 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1603   -0.9203   -0.0063 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8516    3.3835   -0.2649 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2635    0.4719   -0.1788 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3736    2.0222   -0.2722 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6218    0.8438   -0.1719 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6041    1.8959   -0.3432 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9332    5.6385   -0.5665 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6775    4.8517   -0.6615 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9135    5.4003   -2.1611 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2354    3.6848   -1.9228 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1835   -1.3506    0.0105 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0695    1.0911   -0.3757 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0873   -2.6727    0.2002 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9135    2.2479   -0.5827 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6299   -2.2603   -0.8023 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6390   -2.1295    0.9825 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0537    3.5266    0.9343 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0803   -0.4772   -0.9294 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0625   -0.3131    0.8363 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1979    6.2014    0.3819 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 10  1  0  0  0  0
  1 18  1  0  0  0  0
  1 19  1  0  0  0  0
  1 20  1  0  0  0  0
  2  4  2  0  0  0  0
  2 21  1  0  0  0  0
  3  2  1  0  0  0  0
  3  5  2  0  0  0  0
  3 22  1  0  0  0  0
  4 11  1  0  0  0  0
  4 23  1  0  0  0  0
  5 13  1  0  0  0  0
  5 24  1  0  0  0  0
  6  8  1  0  0  0  0
  6 25  1  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
  8 15  1  0  0  0  0
  8 28  1  0  0  0  0
  8 29  1  0  0  0  0
  9  7  2  0  0  0  0
  9 17  1  0  0  0  0
  9 30  1  0  0  0  0
 10 12  2  0  0  0  0
 11  6  1  0  0  0  0
 11 13  2  0  0  0  0
 12 14  1  0  0  0  0
 13 15  1  0  0  0  0
 14 15  1  0  0  0  0
 16 14  2  0  0  0  0
 17 10  1  0  0  0  0
M  END
>  <ID>
Z89307993

>  <Barcode>
9990529604

>  <Well>
C04

>  <Plate_ID>
816280-04

>  <MW>
227.27

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

> <ALATIS_Standard_InChI>
InChI=1S/C14H13NO2/c1-10-12(7-9-17-10)14(16)15-8-6-11-4-2-3-5-13(11)15/h2-5,7,9H,6,8H2,1H3

> <ALATIS_Warnings>

> <ALATIS_Errors>

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


> <ALATIS_Mixture_Map>

$$$$
