
    alatis_output_mol

 25 25  0  0  0  0  0  0  0  0999 V2000
   -2.4599   -0.3428    0.0030 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5907   -1.1775   -0.0164 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7953    1.8687   -0.0309 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2571   -2.7507    0.0363 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9793   -0.2342   -0.0385 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2139   -0.6146   -0.0474 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0104   -1.2748   -0.0323 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1128   -3.3253   -1.0811 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0219   -2.7527   -2.3149 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4072    0.9697   -0.0935 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9140    0.7248   -0.0614 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8134   -4.3236   -0.9232 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9323    0.6451    0.0276 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7782   -0.8910    0.8949 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8330   -0.8672   -0.8815 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3762   -0.4233   -0.0893 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7314   -1.8720   -0.8511 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7491   -1.7291    0.9162 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8401    1.5633   -0.0216 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5997    2.4741   -0.9199 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5766    2.4430    0.8738 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7627   -2.9696    0.9848 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6891   -3.3037    0.0336 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6445   -1.8217   -2.4405 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6403   -3.1125   -3.0306 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  1  0  0  0  0
  1 13  1  0  0  0  0
  1 14  1  0  0  0  0
  1 15  1  0  0  0  0
  2  6  1  0  0  0  0
  2 16  1  0  0  0  0
  2 17  1  0  0  0  0
  2 18  1  0  0  0  0
  3 11  1  0  0  0  0
  3 19  1  0  0  0  0
  3 20  1  0  0  0  0
  3 21  1  0  0  0  0
  4  7  1  0  0  0  0
  4 22  1  0  0  0  0
  4 23  1  0  0  0  0
  5  7  1  0  0  0  0
  6  7  2  0  0  0  0
  8  4  1  0  0  0  0
  9  8  1  0  0  0  0
  9 24  1  0  0  0  0
  9 25  1  0  0  0  0
 10  5  2  0  0  0  0
 11  6  1  0  0  0  0
 11 10  1  0  0  0  0
 12  8  2  0  0  0  0
M  END
>  <ID>
Z287484230

>  <Barcode>
0110706006

>  <Well>
D07

>  <Plate_ID>
816280-03

>  <MW>
167.21

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

> <ALATIS_Standard_InChI>
InChI=1S/C8H13N3O/c1-5-7(4-8(9)12)6(2)11(3)10-5/h4H2,1-3H3,(H2,9,12)

> <ALATIS_Warnings>

> <ALATIS_Errors>

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


> <ALATIS_Mixture_Map>

$$$$
