
    alatis_output_mol

 31 32  0  0  0  0  0  0  0  0999 V2000
    4.0729    2.1274   -1.0895 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5673   -4.1683   -0.1533 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4145    0.8024   -0.7638 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4902   -3.7756   -0.3889 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1540   -4.1027   -0.1476 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8840   -2.4382   -0.4281 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6276   -1.7621    0.1042 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2053   -3.0983    0.0956 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9479   -1.4279   -0.2136 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7706   -3.5073    0.2725 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5102   -2.6570    0.3005 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1529   -2.4894    0.3322 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3097   -1.5402    0.2612 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2071   -3.7931    0.2479 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5571   -1.9693    0.1406 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4485   -3.3093    0.1205 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5150   -4.7063    0.3090 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4054   -0.1389   -0.3328 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6981    2.0384   -1.9845 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7184    2.4576   -0.2739 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3116    2.8914   -1.2753 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2351   -4.9688   -0.8191 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9259   -4.5800    0.7919 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3555   -3.5900   -0.6420 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6906    0.9759    0.0391 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8982    0.4282   -1.6576 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2166   -4.5648   -0.5689 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8536   -5.1495   -0.1573 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9183   -2.1851   -0.6475 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9420   -0.9693    0.3618 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1019   -1.5199    0.2960 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  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 16  1  0  0  0  0
  2 22  1  0  0  0  0
  2 23  1  0  0  0  0
  2 24  1  0  0  0  0
  3 18  1  0  0  0  0
  3 25  1  0  0  0  0
  3 26  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  2  0  0  0  0
  4 27  1  0  0  0  0
  5  8  2  0  0  0  0
  5 28  1  0  0  0  0
  6  9  1  0  0  0  0
  6 29  1  0  0  0  0
  7  8  1  0  0  0  0
  7 30  1  0  0  0  0
  8 10  1  0  0  0  0
  9  7  2  0  0  0  0
 10 12  1  0  0  0  0
 12 11  1  0  0  0  0
 12 31  1  0  0  0  0
 13 11  1  0  0  0  0
 14 11  2  0  0  0  0
 15 13  2  0  0  0  0
 16 14  1  0  0  0  0
 16 15  1  0  0  0  0
 17 10  2  0  0  0  0
 18  9  1  0  0  0  0
M  END
>  <ID>
Z57292400

>  <Barcode>
0110770241

>  <Well>
C07

>  <Plate_ID>
816280-08

>  <MW>
247.26

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

> <ALATIS_Standard_InChI>
InChI=1S/C11H13N5O2/c1-3-18-9-6-4-5-8(7-9)10(17)12-11-13-15-16(2)14-11/h4-7H,3H2,1-2H3,(H,12,14,17)

> <ALATIS_Warnings>

> <ALATIS_Errors>

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


> <ALATIS_Mixture_Map>

$$$$
