
    alatis_output_mol

 27 29  0  0  0  0  0  0  0  0999 V2000
    6.3188    4.6667    0.8586 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8191   -2.8257   -0.4621 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5519    3.5452    0.5380 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6980    5.9031    0.8923 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7835   -1.7316   -0.1489 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5457   -2.4372   -0.6038 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6715    4.9783    0.2979 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1679    0.7481   -0.3797 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1865    3.6831    0.2800 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5283    1.0897   -0.2190 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1859   -0.1274   -0.2209 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0565    2.4330   -0.0754 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3962    6.0881    0.6002 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5085   -0.4643   -0.0486 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0341   -0.5573   -0.5405 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4308    2.5110    0.0567 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2020   -1.0983   -0.4652 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2923    3.3910   -0.0739 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3739    4.5762    1.0913 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1632   -3.8451   -0.5614 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0294    2.5700    0.5165 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2434    6.8020    1.1655 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8206   -2.0660    0.0142 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7323   -3.1128   -0.8348 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6350    5.1990    0.0673 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6831    1.4199   -0.3905 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9256    1.6214    0.0702 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  2  0  0  0  0
  1 19  1  0  0  0  0
  2  6  2  0  0  0  0
  2 20  1  0  0  0  0
  3  9  1  0  0  0  0
  3 21  1  0  0  0  0
  4  1  1  0  0  0  0
  4 13  2  0  0  0  0
  4 22  1  0  0  0  0
  5  2  1  0  0  0  0
  5 14  2  0  0  0  0
  5 23  1  0  0  0  0
  6 17  1  0  0  0  0
  6 24  1  0  0  0  0
  7  9  2  0  0  0  0
  7 25  1  0  0  0  0
  8 10  1  0  0  0  0
  8 26  1  0  0  0  0
  9 16  1  0  0  0  0
 11 10  2  0  0  0  0
 12 10  1  0  0  0  0
 13  7  1  0  0  0  0
 14 11  1  0  0  0  0
 15  8  2  0  0  0  0
 16 12  1  0  0  0  0
 16 27  1  0  0  0  0
 17 11  1  0  0  0  0
 17 15  1  0  0  0  0
 18 12  2  0  0  0  0
M  END
>  <ID>
Z296054478

>  <Barcode>
9990529544

>  <Well>
H09

>  <Plate_ID>
816280-04

>  <MW>
239.24

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

> <ALATIS_Standard_InChI>
InChI=1S/C12H9N5O/c18-12(16-9-3-1-4-13-7-9)10-8-15-17-6-2-5-14-11(10)17/h1-8H,(H,16,18)

> <ALATIS_Warnings>

> <ALATIS_Errors>

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


> <ALATIS_Mixture_Map>

$$$$
