
    alatis_output_mol

 20 21  0  0  0  0  0  0  0  0999 V2000
    2.0769    2.4545    0.0202 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2418   -2.3291   -0.0163 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0299    1.3227   -0.0034 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5459    1.0692    0.0170 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1930    0.6547    0.0046 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2271   -0.7470   -0.0067 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9676   -1.4669   -0.0340 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1637    0.6024   -0.0262 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1256   -0.7744   -0.0461 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3771    0.0275    0.0214 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5683   -1.0532   -0.0004 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1162   -2.8277   -0.0622 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1718    2.4676    0.0204 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7332    2.9963   -0.8671 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7319    2.9930    0.9086 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5424   -3.1575   -0.0420 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8560   -2.4010    0.8864 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8771   -2.3694   -0.9059 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1365    2.3992    0.0037 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2823   -3.2491    0.1585 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  4  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 11  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  5  1  0  0  0  0
  3 19  1  0  0  0  0
  4 10  2  0  0  0  0
  5  4  1  0  0  0  0
  5  6  2  0  0  0  0
  6 11  1  0  0  0  0
  7  6  1  0  0  0  0
  8  3  2  0  0  0  0
  8  9  1  0  0  0  0
  9  7  2  0  0  0  0
 10 11  1  0  0  0  0
 12  7  1  0  0  0  0
 12 20  1  0  0  0  0
M  END
>  <ID>
Z2301438417

>  <Barcode>
0110705826

>  <Well>
C06

>  <Plate_ID>
816280-02

>  <MW>
164.17

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

> <ALATIS_Standard_InChI>
InChI=1S/C7H8N4O/c1-4-5-3-8-9-7(12)6(5)11(2)10-4/h3H,1-2H3,(H,9,12)

> <ALATIS_Warnings>

> <ALATIS_Errors>

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


> <ALATIS_Mixture_Map>

$$$$
