
    alatis_output_mol

 23 23  0  0  0  0  0  0  0  0999 V2000
   -5.4676   -0.8366   -0.0083 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8232    1.7637   -0.0261 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6581   -2.1202    0.0029 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8378   -0.6770    0.0018 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8100    0.6972   -0.0135 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5235   -1.0598    0.0046 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2777   -2.7937    0.0167 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2449   -1.8383    0.0065 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9825   -2.3617    0.0167 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3118    0.0226   -0.0075 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5204   -3.9987    0.0277 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4799    1.1150   -0.0180 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5388   -1.0569   -0.0112 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2432   -0.2238    0.8722 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2365   -0.2360   -0.8953 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8353    1.3506   -0.0232 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7072    2.3857   -0.9195 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7099    2.4052    0.8537 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8901   -2.7154    0.8919 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8832   -2.7267   -0.8802 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7134   -1.3074    0.0089 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9314   -0.8722   -0.0055 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3010   -3.1066    0.0266 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  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  5  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  8  1  0  0  0  0
  3 19  1  0  0  0  0
  3 20  1  0  0  0  0
  4  6  1  0  0  0  0
  4 21  1  0  0  0  0
  5  4  2  0  0  0  0
  7  9  1  0  0  0  0
  8  7  1  0  0  0  0
  8 22  1  0  0  0  0
  9  6  1  0  0  0  0
  9 23  1  0  0  0  0
 10  6  2  0  0  0  0
 11  7  2  0  0  0  0
 12  5  1  0  0  0  0
 12 10  1  0  0  0  0
M  END
>  <ID>
Z56880342

>  <Barcode>
0110705940

>  <Well>
A12

>  <Plate_ID>
816280-01

>  <MW>
169.18

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

> <ALATIS_Standard_InChI>
InChI=1S/C7H11N3O2/c1-3-8-7(11)9-6-4-5(2)12-10-6/h4H,3H2,1-2H3,(H2,8,9,10,11)

> <ALATIS_Warnings>

> <ALATIS_Errors>

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


> <ALATIS_Mixture_Map>

$$$$
