
    alatis_output_mol

 27 28  0  0  0  0  0  0  0  0999 V2000
    2.5038   -0.5461    4.7790 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7165    0.5909    4.6003 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5321   -1.5315    3.7973 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4688    0.3421   -4.8111 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9613    0.7586    3.4364 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8052   -1.3548    2.6228 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0166    0.4467   -3.4914 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7061   -0.2332   -5.0501 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0473   -0.5864   -2.8029 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0401   -0.1946    2.4259 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8222   -0.0137   -2.4486 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1018   -0.1521    0.0061 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5012   -0.7092   -4.0760 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4009    0.0555    1.1855 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3518    0.1252   -1.1187 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2725   -0.5153   -0.0204 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1108   -0.6575    5.6734 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7183    1.3716    5.3590 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1441   -2.4214    3.9246 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1272    0.7077   -5.6393 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3840    1.6688    3.3038 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8587   -2.1229    1.8536 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9472    0.9039   -3.3020 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1048   -0.3329   -6.0551 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7351   -1.0044   -2.0760 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2584    0.8181    1.1706 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5838    0.4765   -0.9867 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1 17  1  0  0  0  0
  2  5  2  0  0  0  0
  2 18  1  0  0  0  0
  3  6  1  0  0  0  0
  3 19  1  0  0  0  0
  4  7  2  0  0  0  0
  4 20  1  0  0  0  0
  5 10  1  0  0  0  0
  5 21  1  0  0  0  0
  6 10  2  0  0  0  0
  6 22  1  0  0  0  0
  7 11  1  0  0  0  0
  7 23  1  0  0  0  0
  8  4  1  0  0  0  0
  8 13  2  0  0  0  0
  8 24  1  0  0  0  0
  9 11  2  0  0  0  0
  9 25  1  0  0  0  0
 10 14  1  0  0  0  0
 11 15  1  0  0  0  0
 13  9  1  0  0  0  0
 14 12  1  0  0  0  0
 14 26  1  0  0  0  0
 15 12  1  0  0  0  0
 15 27  1  0  0  0  0
 16 12  2  0  0  0  0
M  END
>  <ID>
Z44592329

>  <Barcode>
0110705859

>  <Well>
H04

>  <Plate_ID>
816280-01

>  <MW>
213.24

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

> <ALATIS_Standard_InChI>
InChI=1S/C12H11N3O/c16-12(14-10-5-2-1-3-6-10)15-11-7-4-8-13-9-11/h1-9H,(H2,14,15,16)

> <ALATIS_Warnings>

> <ALATIS_Errors>

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


> <ALATIS_Mixture_Map>

$$$$
