
    alatis_output_mol

 30 31  0  0  0  0  0  0  0  0999 V2000
   -1.1094    3.2513    1.8501 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7820    2.3414    1.0324 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2597    3.1153    2.0685 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0930    1.2727    0.4511 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9506    2.0505    1.4921 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5550   -4.6743   -1.3656 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7840   -3.7539   -1.4021 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0805   -3.4993   -0.7640 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3024   -2.5829   -0.8101 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9051   -4.7886   -1.7213 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2736    1.1079    0.7047 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9458   -2.4253   -0.5217 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3656   -6.0036   -2.4385 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0679   -0.0226    0.1476 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5036   -5.8899   -3.1954 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3977   -1.2271   -0.0070 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7382   -7.0538   -2.3995 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2469    0.1945   -0.1118 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6501    4.0760    2.3085 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8448    2.4727    0.8427 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7916    3.8353    2.6854 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6299    0.6043   -0.2151 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0220    1.9526    1.6601 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1338   -5.4905   -1.5789 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8482   -3.8344   -1.5945 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9780   -3.4351   -0.5194 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0297   -1.8092   -0.5832 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9094   -4.9985   -3.4383 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7471   -6.6855   -3.7721 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5783   -1.2632    0.2534 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 11  2  0  0  0  0
  4 22  1  0  0  0  0
  5 11  1  0  0  0  0
  5 23  1  0  0  0  0
  6  8  2  0  0  0  0
  6 10  1  0  0  0  0
  6 24  1  0  0  0  0
  7  9  1  0  0  0  0
  7 25  1  0  0  0  0
  8 12  1  0  0  0  0
  8 26  1  0  0  0  0
  9 12  2  0  0  0  0
  9 27  1  0  0  0  0
 10  7  2  0  0  0  0
 11 14  1  0  0  0  0
 12 16  1  0  0  0  0
 13 10  1  0  0  0  0
 15 13  1  0  0  0  0
 15 28  1  0  0  0  0
 15 29  1  0  0  0  0
 16 14  1  0  0  0  0
 16 30  1  0  0  0  0
 17 13  2  0  0  0  0
 18 14  2  0  0  0  0
M  END
>  <ID>
Z30242076

>  <Barcode>
9990531806

>  <Well>
A02

>  <Plate_ID>
816280-05

>  <MW>
240.26

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

> <ALATIS_Standard_InChI>
InChI=1S/C14H12N2O2/c15-13(17)10-6-8-12(9-7-10)16-14(18)11-4-2-1-3-5-11/h1-9H,(H2,15,17)(H,16,18)

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


> <ALATIS_Mixture_Map>

$$$$
