
    alatis_output_mol

 31 32  0  0  0  0  0  0  0  0999 V2000
   -2.5916    6.3089   -4.2515 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4804    6.2878   -2.8637 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0008    5.2988   -5.0095 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7807    5.2573   -2.2267 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3051    4.2658   -4.3724 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3141   -0.1537   -0.2480 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7117    1.1510    0.2763 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5371    0.1398    0.2072 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3050    3.4695   -1.3363 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1855    4.2448   -2.9814 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8854   -1.2465    0.0648 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1893    2.2656   -0.9909 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4888   -1.3043    0.0636 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6728    1.2636   -0.1813 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5339   -2.2915    0.1058 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3510    2.2242   -1.4062 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5396    3.1617   -2.4409 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1449    7.1059   -4.7447 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9522    7.0691   -2.2720 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0848    5.3125   -6.0928 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7395    5.2569   -1.1430 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8487    3.4802   -4.9697 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4089   -0.1162   -1.3388 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3048   -0.3263    0.1827 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3267    1.9926   -0.0426 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6880    1.1450    1.3732 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4659    0.1363   -0.3698 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7852    0.2782    1.2664 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9761    4.3024   -1.5846 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2697    3.7562   -0.4503 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8585   -2.2366   -0.0758 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 18  1  0  0  0  0
  2  4  2  0  0  0  0
  2 19  1  0  0  0  0
  3  5  1  0  0  0  0
  3 20  1  0  0  0  0
  4 10  1  0  0  0  0
  4 21  1  0  0  0  0
  5 10  2  0  0  0  0
  5 22  1  0  0  0  0
  6  7  1  0  0  0  0
  6 23  1  0  0  0  0
  6 24  1  0  0  0  0
  7 14  1  0  0  0  0
  7 25  1  0  0  0  0
  7 26  1  0  0  0  0
  8 14  1  0  0  0  0
  8 27  1  0  0  0  0
  8 28  1  0  0  0  0
  9 12  1  0  0  0  0
  9 29  1  0  0  0  0
  9 30  1  0  0  0  0
 10 17  1  0  0  0  0
 11  8  1  0  0  0  0
 12 14  1  0  0  0  0
 13  6  1  0  0  0  0
 13 11  1  0  0  0  0
 13 31  1  0  0  0  0
 15 11  2  0  0  0  0
 16 12  2  0  0  0  0
 17  9  1  0  0  0  0
M  END
>  <ID>
Z31602870

>  <Barcode>
9990529552

>  <Well>
G08

>  <Plate_ID>
816280-04

>  <MW>
234.26

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

> <ALATIS_Standard_InChI>
InChI=1S/C12H14N2O3/c15-11-8-14(7-6-13-11)12(16)9-17-10-4-2-1-3-5-10/h1-5H,6-9H2,(H,13,15)

> <ALATIS_Warnings>

> <ALATIS_Errors>

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


> <ALATIS_Mixture_Map>

$$$$
