
    alatis_output_mol

 27 28  0  0  0  0  0  0  0  0999 V2000
    0.9512   -4.9915    3.0789 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3729   -4.6717    3.3722 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7528   -4.0809    2.3925 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9041   -3.4476    2.9650 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2256   -2.8562    1.9864 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7120   -1.2509    1.7179 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4716   -2.2868   -0.3893 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1720    0.1058   -0.2590 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1130   -2.5330    2.2542 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9713   -2.1227   -0.1733 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6793    0.2819   -0.0822 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4496   -0.8384   -0.2597 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6942   -1.1976    0.2426 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7274   -3.0616    0.0605 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1938    1.3630    0.1948 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3560   -5.9548    3.3775 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9999   -5.3846    3.9035 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7831   -4.3331    2.1570 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9474   -3.2263    3.1809 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8511   -2.1618    1.4268 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7246   -1.1147    2.1179 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1123   -0.4241    2.1216 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1619   -3.2727   -0.0271 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2875   -2.2894   -1.4698 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6528    0.9260    0.2493 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9468    0.1970   -1.3284 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4379   -0.7259   -0.0880 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 16  1  0  0  0  0
  2  4  1  0  0  0  0
  2 17  1  0  0  0  0
  3  5  2  0  0  0  0
  3 18  1  0  0  0  0
  4  9  2  0  0  0  0
  4 19  1  0  0  0  0
  5  9  1  0  0  0  0
  5 20  1  0  0  0  0
  6 13  1  0  0  0  0
  6 21  1  0  0  0  0
  6 22  1  0  0  0  0
  7 10  1  0  0  0  0
  7 23  1  0  0  0  0
  7 24  1  0  0  0  0
  8 11  1  0  0  0  0
  8 13  1  0  0  0  0
  8 25  1  0  0  0  0
  8 26  1  0  0  0  0
  9  6  1  0  0  0  0
 10 12  1  0  0  0  0
 11 12  1  0  0  0  0
 12 27  1  0  0  0  0
 13  7  1  0  0  0  0
 14 10  2  0  0  0  0
 15 11  2  0  0  0  0
M  END
>  <ID>
Z1157654117

>  <Barcode>
0110770188

>  <Well>
G12

>  <Plate_ID>
816280-08

>  <MW>
204.23

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

> <ALATIS_Standard_InChI>
InChI=1S/C11H12N2O2/c14-10-7-13(8-11(15)12-10)6-9-4-2-1-3-5-9/h1-5H,6-8H2,(H,12,14,15)

> <ALATIS_Warnings>

> <ALATIS_Errors>

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


> <ALATIS_Mixture_Map>

$$$$
