
    alatis_output_mol

 31 32  0  0  0  0  0  0  0  0999 V2000
   -3.3770    2.7614    6.7545 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8949    2.6041    2.2305 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7103    0.5668    3.5030 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2675    3.2888    3.3916 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0904    1.2550    4.6651 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0520    1.0975   -0.1189 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3224    0.5070    0.9045 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1847    0.5009    1.0290 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1017    1.6722   -1.1728 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6157    1.2328    2.2743 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3763    2.6178    4.6095 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3727    1.0871   -0.1468 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8822    1.1236   -0.1867 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4604    1.6887   -1.1819 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.9667    0.4791    0.9209 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2510    0.5208    0.8790 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2934    1.6627   -1.1172 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7043    3.4046    5.6787 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5587    3.5141    7.5284 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7732    1.9721    7.2111 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3473    2.3756    6.4254 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8191    3.1493    1.2912 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4778   -0.4926    3.5725 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4797    4.3545    3.3419 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1261    0.7023    5.5972 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1366    1.1147   -0.1086 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8214    0.0383    1.7468 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4954   -0.5480    1.0829 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6753    0.9334    0.1503 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6170    2.1465   -2.0192 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8413    0.1206    1.6020 H   0  0  0  0  0  0  0  0  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
  1 21  1  0  0  0  0
  2 10  1  0  0  0  0
  2 22  1  0  0  0  0
  3 10  2  0  0  0  0
  3 23  1  0  0  0  0
  4  2  2  0  0  0  0
  4 11  1  0  0  0  0
  4 24  1  0  0  0  0
  5  3  1  0  0  0  0
  5 25  1  0  0  0  0
  6  7  2  0  0  0  0
  6 14  1  0  0  0  0
  6 26  1  0  0  0  0
  7 15  1  0  0  0  0
  7 27  1  0  0  0  0
  8 16  1  0  0  0  0
  8 28  1  0  0  0  0
  8 29  1  0  0  0  0
  9 12  1  0  0  0  0
  9 30  1  0  0  0  0
 10  8  1  0  0  0  0
 11  5  2  0  0  0  0
 12 13  1  0  0  0  0
 14  9  2  0  0  0  0
 15 12  2  0  0  0  0
 16 13  1  0  0  0  0
 16 31  1  0  0  0  0
 17 13  2  0  0  0  0
 18 11  1  0  0  0  0
M  END
>  <ID>
Z30871350

>  <Barcode>
0110705870

>  <Well>
G10

>  <Plate_ID>
816280-01

>  <MW>
243.27

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

> <ALATIS_Standard_InChI>
InChI=1S/C13H13N3O2/c1-18-11-4-2-10(3-5-11)8-16-13(17)12-9-14-6-7-15-12/h2-7,9H,8H2,1H3,(H,16,17)

> <ALATIS_Warnings>

> <ALATIS_Errors>

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


> <ALATIS_Mixture_Map>

$$$$
