
    alatis_output_mol

 29 30  0  0  0  0  0  0  0  0999 V2000
   -4.1975   -5.0306    2.0183 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8381   -4.3715   -0.6878 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4741   -3.1382   -0.8129 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4847   -4.4308   -0.3391 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0581   -1.9334    0.6367 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0791   -2.7105    1.1195 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4029   -2.0212   -0.2758 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7741   -1.9502   -0.5741 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7458   -3.2593   -0.1614 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9213   -2.7885    0.5737 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5619   -2.3604    0.1893 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5482   -0.6743   -0.6568 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3725   -3.3836    0.1317 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2385   -4.0403    0.9629 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5356   -3.9409    1.3393 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3345   -1.1799   -0.0481 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6956   -0.6417   -1.0777 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9350    0.4365   -0.2012 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4606   -5.7814    2.3101 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9430   -5.4601    1.3450 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6833   -4.6269    2.9123 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3989   -5.2861   -0.8628 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5276   -3.1050   -1.0934 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0180   -5.4079   -0.2318 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0930   -0.8808    0.3910 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1080   -2.4805    1.3613 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8421   -1.1111   -0.1355 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0228   -4.3102    0.2855 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0548    0.3354    0.1979 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 15  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  4  2  0  0  0  0
  2 22  1  0  0  0  0
  3  2  1  0  0  0  0
  3  8  2  0  0  0  0
  3 23  1  0  0  0  0
  4  9  1  0  0  0  0
  4 24  1  0  0  0  0
  5 10  1  0  0  0  0
  5 25  1  0  0  0  0
  6  5  2  0  0  0  0
  6 15  1  0  0  0  0
  6 26  1  0  0  0  0
  7  9  2  0  0  0  0
  7 27  1  0  0  0  0
  8  7  1  0  0  0  0
  9 13  1  0  0  0  0
 11 10  1  0  0  0  0
 12  8  1  0  0  0  0
 13 11  1  0  0  0  0
 13 28  1  0  0  0  0
 14 10  2  0  0  0  0
 15 14  1  0  0  0  0
 16 11  2  0  0  0  0
 17 12  2  0  0  0  0
 18 12  1  0  0  0  0
 18 29  1  0  0  0  0
M  END
>  <ID>
Z2856434892

>  <Barcode>
0110770257

>  <Well>
B10

>  <Plate_ID>
816280-08

>  <MW>
245.24

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

> <ALATIS_Standard_InChI>
InChI=1S/C12H11N3O3/c1-15-6-5-10(14-15)11(16)13-9-4-2-3-8(7-9)12(17)18/h2-7H,1H3,(H,13,16)(H,17,18)

> <ALATIS_Warnings>

> <ALATIS_Errors>

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


> <ALATIS_Mixture_Map>

$$$$
