
    alatis_output_mol

 27 28  0  0  0  0  0  0  0  0999 V2000
    2.1256    7.9163    0.5375 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1348    3.5966   -1.1439 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7219    3.7136    0.6448 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1534    4.9917   -1.2470 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7427    5.1123    0.5474 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3954   -1.3788   -1.3076 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7026   -0.3409   -1.5391 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9250    2.9285   -0.2043 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9457    5.7557   -0.3947 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1568    0.5732   -0.5937 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5473   -0.6683   -0.6916 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0919    0.8686   -1.0425 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9131    1.5340   -0.0109 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9014    7.1060   -0.6096 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1513    7.8260    0.9076 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9784    8.9588    0.2381 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4012    7.6869    1.3253 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5129    3.0497   -1.8456 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3501    3.2373    1.3951 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5394    5.4813   -1.9986 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4057    5.6641    1.2044 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0476   -2.1662   -0.6301 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7048   -1.8461   -2.2480 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9355   -0.2380   -2.6040 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6206   -0.5850   -0.9956 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6358    1.4171   -0.3875 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7939    1.1676    0.3279 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 14  1  0  0  0  0
  1 15  1  0  0  0  0
  1 16  1  0  0  0  0
  1 17  1  0  0  0  0
  2  8  1  0  0  0  0
  2 18  1  0  0  0  0
  3  8  2  0  0  0  0
  3 19  1  0  0  0  0
  4  2  2  0  0  0  0
  4  9  1  0  0  0  0
  4 20  1  0  0  0  0
  5  3  1  0  0  0  0
  5 21  1  0  0  0  0
  6 11  1  0  0  0  0
  6 22  1  0  0  0  0
  6 23  1  0  0  0  0
  7  6  1  0  0  0  0
  7 12  1  0  0  0  0
  7 24  1  0  0  0  0
  7 25  1  0  0  0  0
  8 13  1  0  0  0  0
  9  5  2  0  0  0  0
 11 10  2  0  0  0  0
 12 10  1  0  0  0  0
 12 26  1  0  0  0  0
 13 10  1  0  0  0  0
 13 27  1  0  0  0  0
 14  9  1  0  0  0  0
M  END
>  <ID>
Z57186564

>  <Barcode>
0110705808

>  <Well>
D01

>  <Plate_ID>
816280-02

>  <MW>
191.23

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

> <ALATIS_Standard_InChI>
InChI=1S/C10H13N3O/c1-14-9-4-2-8(3-5-9)13-10-11-6-7-12-10/h2-5H,6-7H2,1H3,(H2,11,12,13)

> <ALATIS_Warnings>

> <ALATIS_Errors>

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


> <ALATIS_Mixture_Map>

$$$$
