
    alatis_output_mol

 29 31  0  0  0  0  0  0  0  0999 V2000
   -5.7256   -2.8407   -0.5552 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5204   -4.2092   -0.1041 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9068   -4.0016   -0.2149 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3321   -0.4646    0.3636 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6178   -0.8127    0.0216 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2931   -2.2056    0.1478 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1673   -1.8948    0.4828 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2774   -3.0180   -0.3462 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5407   -1.6426    0.3071 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6431   -3.1661    0.2166 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3802   -2.6965   -0.0409 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1039   -2.9719    0.0430 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7622   -2.5078    0.4063 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6464   -2.1699   -0.1727 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2523   -3.4272    0.1798 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3598   -4.1895   -0.4686 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6203   -1.3754    0.8544 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7296   -4.2087   -0.7145 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9242   -2.5037   -1.5774 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1245   -2.0855    0.1311 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2697   -3.7734   -0.3832 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1391   -5.2100   -0.2953 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5746   -4.8172   -0.4734 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9793    0.5362    0.5789 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5089   -0.2119   -0.1028 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3902   -1.1938    0.5147 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5466   -1.0545    0.7638 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4661   -2.7016   -0.4299 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0508   -4.3401   -0.1432 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  8  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  2  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  4  2  0  0  0  0
  5 14  1  0  0  0  0
  5 25  1  0  0  0  0
  6 12  1  0  0  0  0
  6 26  1  0  0  0  0
  7 10  2  0  0  0  0
  7 27  1  0  0  0  0
  8  6  2  0  0  0  0
  9  7  1  0  0  0  0
 10 15  1  0  0  0  0
 11  3  1  0  0  0  0
 11  9  2  0  0  0  0
 13 12  1  0  0  0  0
 14 11  1  0  0  0  0
 14 28  1  0  0  0  0
 15 13  1  0  0  0  0
 15 29  1  0  0  0  0
 16 12  2  0  0  0  0
 17 13  2  0  0  0  0
 18  8  1  0  0  0  0
 18 16  1  0  0  0  0
M  END
>  <ID>
Z1190787729

>  <Barcode>
0110770217

>  <Well>
E07

>  <Plate_ID>
816280-08

>  <MW>
241.25

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

> <ALATIS_Standard_InChI>
InChI=1S/C13H11N3O2/c1-8-6-12(16-18-8)13(17)15-10-2-3-11-9(7-10)4-5-14-11/h2-7,14H,1H3,(H,15,17)

> <ALATIS_Warnings>

> <ALATIS_Errors>

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


> <ALATIS_Mixture_Map>

$$$$
