
    alatis_output_mol

 34 35  0  0  0  0  0  0  0  0999 V2000
   -7.7132   -1.1559   -0.3937 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0292   -0.0567   -0.1182 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5745   -1.3932    0.3755 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3914   -1.7703    1.6334 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4121    0.0438    0.0505 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9998   -1.6451    1.7645 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0264    0.1750    0.1794 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7481    0.1278    0.6815 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3338   -2.1953    0.7588 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2699   -0.7257   -0.4692 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1027   -0.9552    0.7413 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3204   -0.6966    1.0049 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9504   -1.6071    1.0331 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4869   -1.1949    0.5727 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2651   -1.2238    0.8711 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8924   -0.0384   -1.4153 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6031   -2.7770    1.1303 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0787   -0.5122    1.0479 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.3420   -0.2633   -0.3275 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9169   -1.7942    0.4688 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9646   -1.7091   -1.3040 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7372    0.7662    0.0195 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7954   -0.1290   -1.1870 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1715   -1.9030   -0.3883 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2159   -1.2409    1.2507 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8967   -2.5402    2.2108 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9287    0.7431   -0.5999 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4643   -2.3068    2.4389 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5077    0.9458   -0.3824 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9598    0.5453    1.6715 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0204    0.7646    0.1698 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0731   -2.9408    0.0027 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4642   -2.7009    1.7220 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8981   -1.8866    1.1866 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 10  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  3  1  0  0  0  0
  2  8  1  0  0  0  0
  2 22  1  0  0  0  0
  2 23  1  0  0  0  0
  3  9  1  0  0  0  0
  3 24  1  0  0  0  0
  3 25  1  0  0  0  0
  4  6  2  0  0  0  0
  4 11  1  0  0  0  0
  4 26  1  0  0  0  0
  5  7  1  0  0  0  0
  5 27  1  0  0  0  0
  6 12  1  0  0  0  0
  6 28  1  0  0  0  0
  7 12  2  0  0  0  0
  7 29  1  0  0  0  0
  8 15  1  0  0  0  0
  8 30  1  0  0  0  0
  8 31  1  0  0  0  0
  9 15  1  0  0  0  0
  9 32  1  0  0  0  0
  9 33  1  0  0  0  0
 10 14  1  0  0  0  0
 11  5  2  0  0  0  0
 12 18  1  0  0  0  0
 14 11  1  0  0  0  0
 14 34  1  0  0  0  0
 15 13  1  0  0  0  0
 16 10  2  0  0  0  0
 17 13  2  0  0  0  0
 18 13  1  0  0  0  0
M  END
>  <ID>
Z274555566

>  <Barcode>
9990531983

>  <Well>
E01

>  <Plate_ID>
816280-05

>  <MW>
248.28

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

> <ALATIS_Standard_InChI>
InChI=1S/C13H16N2O3/c1-10(16)14-11-4-6-12(7-5-11)18-13(17)15-8-2-3-9-15/h4-7H,2-3,8-9H2,1H3,(H,14,16)

> <ALATIS_Warnings>

> <ALATIS_Errors>

> <ALATIS_Map>
new index	atom name	original index
1	C	16
2	C	17
3	C	18
4	C	12
5	C	13
6	C	10
7	C	11
8	C	15
9	C	14
10	C	4
11	C	9
12	C	8
13	C	1
14	N	5
15	N	2
16	O	7
17	O	6
18	O	3
19	H	30
20	H	28
21	H	29
22	H	31
23	H	32
24	H	33
25	H	34
26	H	22
27	H	23
28	H	20
29	H	21
30	H	26
31	H	27
32	H	24
33	H	25
34	H	19


> <ALATIS_Mixture_Map>

$$$$
