
    alatis_output_mol

 29 31  0  0  0  0  0  0  0  0999 V2000
    6.0558   -6.9111    0.1008 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6006   -2.8456   -0.0996 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3007   -4.8474    0.0709 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7614   -3.6081   -0.2514 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4670   -5.6203   -0.0732 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3544   -0.1784    0.3284 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4871    0.5098   -1.6045 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3468   -3.4457    0.0535 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7019   -4.9978   -0.2408 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3718   -0.7924   -0.1936 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5374    0.4715   -0.7346 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8795   -1.4140   -0.4050 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5201   -1.1887    0.4650 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8021    0.8463   -0.3906 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3364    1.1902   -1.4503 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7976   -0.7144   -1.1335 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1531   -2.7069    0.0765 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.8923   -5.6245   -0.4786 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3353   -7.6355   -0.2878 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0084   -6.8505    1.1926 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0541   -7.2684   -0.1730 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6991   -1.7646   -0.1044 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3448   -5.3592    0.1552 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7156   -3.1069   -0.3878 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3677   -6.6999   -0.0995 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3612   -0.1251    0.7230 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2659    1.0025   -2.1784 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2353    1.7248   -0.6368 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3403   -3.1563    0.4831 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  8  1  0  0  0  0
  2 22  1  0  0  0  0
  3  8  2  0  0  0  0
  3 23  1  0  0  0  0
  4  2  2  0  0  0  0
  4  9  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 13  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 16  2  0  0  0  0
  7 27  1  0  0  0  0
  8 17  1  0  0  0  0
  9  5  2  0  0  0  0
 11 10  1  0  0  0  0
 12 10  2  0  0  0  0
 13 10  1  0  0  0  0
 14 11  1  0  0  0  0
 14 28  1  0  0  0  0
 15 11  2  0  0  0  0
 16 12  1  0  0  0  0
 17 12  1  0  0  0  0
 17 29  1  0  0  0  0
 18  9  1  0  0  0  0
M  END
>  <ID>
Z276545932

>  <Barcode>
0110705222

>  <Well>
C08

>  <Plate_ID>
816280-01

>  <MW>
241.25

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

> <ALATIS_Standard_InChI>
InChI=1S/C12H11N5O/c1-18-9-4-2-8(3-5-9)17-12-10-11(14-6-13-10)15-7-16-12/h2-7H,1H3,(H2,13,14,15,16,17)

> <ALATIS_Warnings>

> <ALATIS_Errors>

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


> <ALATIS_Mixture_Map>

$$$$
