
    alatis_output_mol

 21 21  0  0  0  0  0  0  0  0999 V2000
    1.4576   -3.6799   -0.5539 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7725   -3.3139    0.2930 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2189    0.6477    0.0177 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1539    1.0184   -0.7614 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9972   -0.4463    0.8175 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3309   -2.8048    0.3560 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1291   -0.7193    0.0014 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0289    0.3813   -0.7571 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1501   -1.1457    0.8158 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3118   -1.4267   -0.1149 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3969   -3.4231   -0.4676 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7370   -3.5557   -1.6068 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5582   -4.7370   -0.2950 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4152   -2.7494    0.9769 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8295   -4.3719    0.5725 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1898   -3.2070   -0.7154 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1610    1.1735    0.0032 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2219    1.8606   -1.4441 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7627   -0.8123    1.4948 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9875   -2.8790    1.3944 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0423   -0.8277    0.2543 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1 11  1  0  0  0  0
  1 12  1  0  0  0  0
  1 13  1  0  0  0  0
  2  6  1  0  0  0  0
  2 14  1  0  0  0  0
  2 15  1  0  0  0  0
  2 16  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  3 17  1  0  0  0  0
  4  8  1  0  0  0  0
  4 18  1  0  0  0  0
  5  9  2  0  0  0  0
  5 19  1  0  0  0  0
  6 10  1  0  0  0  0
  6 20  1  0  0  0  0
  8  7  2  0  0  0  0
  9  7  1  0  0  0  0
 10  7  1  0  0  0  0
 10 21  1  0  0  0  0
M  END
>  <ID>
Z31190928

>  <Barcode>
0110706262

>  <Well>
G02

>  <Plate_ID>
816280-07

>  <MW>
137.19

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

> <ALATIS_Standard_InChI>
InChI=1S/C7H11N3/c1-6(2)10-7-8-4-3-5-9-7/h3-6H,1-2H3,(H,8,9,10)

> <ALATIS_Warnings>

> <ALATIS_Errors>

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


> <ALATIS_Mixture_Map>

$$$$
