
    alatis_output_mol

 25 26  0  0  0  0  0  0  0  0999 V2000
   -4.7447   -0.7572   -0.1689 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3436   -3.7335    0.2028 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1689    1.4083   -0.0745 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3605    0.7073   -0.0833 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2551    1.5171   -0.0255 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0385    0.7073   -0.0043 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3445   -0.6861   -0.0172 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1128   -0.6950    0.0693 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1079   -1.4138    0.0641 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5178   -1.2231    0.1374 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4512    1.0318   -0.0222 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5495   -0.3133    0.0263 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.8390   -2.3930    0.2882 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5029   -1.4383   -0.0212 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3589   -2.7603    0.1136 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8008   -0.2454   -1.1359 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9166   -0.0588    0.6571 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5475   -1.5004   -0.1402 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1919   -3.6460    1.1518 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2934   -3.7100   -0.6851 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8180   -4.7195    0.2118 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1883    2.4920   -0.1282 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2831    1.2760   -0.1435 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1481    2.6142   -0.0521 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4896   -0.6965    0.0646 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 14  1  0  0  0  0
  1 16  1  0  0  0  0
  1 17  1  0  0  0  0
  1 18  1  0  0  0  0
  2 15  1  0  0  0  0
  2 19  1  0  0  0  0
  2 20  1  0  0  0  0
  2 21  1  0  0  0  0
  3  4  2  0  0  0  0
  3  6  1  0  0  0  0
  3 22  1  0  0  0  0
  4  7  1  0  0  0  0
  4 23  1  0  0  0  0
  5  6  1  0  0  0  0
  5 24  1  0  0  0  0
  6  8  2  0  0  0  0
  7  9  2  0  0  0  0
  9  8  1  0  0  0  0
 10  8  1  0  0  0  0
 11  5  2  0  0  0  0
 12 10  1  0  0  0  0
 12 11  1  0  0  0  0
 12 25  1  0  0  0  0
 13 10  2  0  0  0  0
 14  7  1  0  0  0  0
 15  9  1  0  0  0  0
M  END
>  <ID>
Z102895082

>  <Barcode>
0110705934

>  <Well>
B07

>  <Plate_ID>
816280-01

>  <MW>
206.20

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

> <ALATIS_Standard_InChI>
InChI=1S/C10H10N2O3/c1-14-7-4-3-6-5-11-12-10(13)8(6)9(7)15-2/h3-5H,1-2H3,(H,12,13)

> <ALATIS_Warnings>

> <ALATIS_Errors>

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


> <ALATIS_Mixture_Map>

$$$$
