
    alatis_output_mol

 28 30  0  0  0  0  0  0  0  0999 V2000
   -5.4723   -0.3009   -0.1970 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7083   -1.4668   -0.1794 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8462    0.9402   -0.1195 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5606   -1.1303   -0.1194 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6554   -2.5173   -0.1783 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3140   -1.3931   -0.0909 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4537    1.0149   -0.0306 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3061   -0.5174   -0.0411 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4977   -3.2928   -0.1552 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6684   -0.1504   -0.0201 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1252   -1.2811   -0.0247 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2461   -2.6788   -0.0808 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2111   -0.0647    0.0420 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8164   -0.6396    0.0326 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3870   -1.1779    0.0075 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5438    1.0993    0.1096 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1665   -3.5250   -0.0726 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7919    0.7216    0.1018 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5554   -0.3588   -0.2726 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1984   -2.4356   -0.2391 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4382    1.8522   -0.1328 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4622   -0.5221   -0.1380 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6294   -2.9964   -0.2434 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7382   -2.3160   -0.0824 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9868    1.9969    0.0240 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2676    0.5699    0.0004 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5674   -4.3765   -0.2015 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3478   -2.9890   -0.0334 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1 19  1  0  0  0  0
  2  6  2  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
  4  5  1  0  0  0  0
  4  8  2  0  0  0  0
  4 22  1  0  0  0  0
  5  9  2  0  0  0  0
  5 23  1  0  0  0  0
  6 10  1  0  0  0  0
  6 24  1  0  0  0  0
  7 10  2  0  0  0  0
  7 25  1  0  0  0  0
  8 11  1  0  0  0  0
  8 26  1  0  0  0  0
  9 12  1  0  0  0  0
  9 27  1  0  0  0  0
 10 13  1  0  0  0  0
 11 14  1  0  0  0  0
 12 11  2  0  0  0  0
 13 15  1  0  0  0  0
 14 15  2  0  0  0  0
 16 13  2  0  0  0  0
 17 12  1  0  0  0  0
 17 28  1  0  0  0  0
 18 14  1  0  0  0  0
 18 16  1  0  0  0  0
M  END
>  <ID>
Z276351322

>  <Barcode>
0110770259

>  <Well>
B12

>  <Plate_ID>
816280-08

>  <MW>
238.25

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

> <ALATIS_Standard_InChI>
InChI=1S/C14H10N2O2/c17-12-9-5-4-8-11(12)14-15-13(16-18-14)10-6-2-1-3-7-10/h1-9,17H

> <ALATIS_Warnings>

> <ALATIS_Errors>

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


> <ALATIS_Mixture_Map>

$$$$
