
    alatis_output_mol

 29 30  0  0  0  0  0  0  0  0999 V2000
    0.9639   -3.3280   -1.6528 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6874   -2.1754   -1.2609 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5480   -0.7370    1.9791 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3255    1.5527    1.8112 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9644   -0.2018    2.2127 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0778    2.1077    2.1179 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3350   -3.1147   -1.2608 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8002   -1.3548   -0.5880 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0076   -0.0739    0.0668 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4374    1.4607    4.0533 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1874    0.5155    4.6676 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2368    0.2245    1.1933 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9103    1.1273    2.8351 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.8494    0.7222   -0.3488 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2663    2.5373    4.6126 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4532   -1.9098   -0.6495 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3408   -4.2047   -2.1602 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7398   -1.9724   -1.4068 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5850   -1.7330    1.5434 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0297   -0.8514    2.9393 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8949    1.4330    2.7411 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8712    2.2551    1.1742 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5212   -0.9181    2.8194 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4912   -0.0853    1.2585 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9896    3.0441    2.6784 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5985    2.3304    1.1794 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2462   -3.6921   -1.3342 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8217   -0.0122    4.0888 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6155    0.8657    5.5163 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 17  1  0  0  0  0
  2  8  2  0  0  0  0
  2 18  1  0  0  0  0
  3 12  1  0  0  0  0
  3 19  1  0  0  0  0
  3 20  1  0  0  0  0
  4 12  1  0  0  0  0
  4 21  1  0  0  0  0
  4 22  1  0  0  0  0
  5  3  1  0  0  0  0
  5 13  1  0  0  0  0
  5 23  1  0  0  0  0
  5 24  1  0  0  0  0
  6  4  1  0  0  0  0
  6 25  1  0  0  0  0
  6 26  1  0  0  0  0
  7  1  2  0  0  0  0
  7 16  1  0  0  0  0
  7 27  1  0  0  0  0
  8  9  1  0  0  0  0
 10 13  1  0  0  0  0
 11 10  1  0  0  0  0
 11 28  1  0  0  0  0
 11 29  1  0  0  0  0
 12  9  1  0  0  0  0
 13  6  1  0  0  0  0
 14  9  2  0  0  0  0
 15 10  2  0  0  0  0
 16  8  1  0  0  0  0
M  END
>  <ID>
Z198194396

>  <Barcode>
0110770250

>  <Well>
B03

>  <Plate_ID>
816280-08

>  <MW>
223.23

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

> <ALATIS_Standard_InChI>
InChI=1S/C10H13N3O3/c11-10(15)13-5-3-12(4-6-13)9(14)8-2-1-7-16-8/h1-2,7H,3-6H2,(H2,11,15)

> <ALATIS_Warnings>

> <ALATIS_Errors>

> <ALATIS_Map>
new index	atom name	original index
1	C	15
2	C	13
3	C	9
4	C	10
5	C	8
6	C	7
7	C	14
8	C	5
9	C	1
10	C	2
11	N	16
12	N	3
13	N	4
14	O	11
15	O	12
16	O	6
17	H	27
18	H	25
19	H	21
20	H	22
21	H	23
22	H	24
23	H	19
24	H	20
25	H	17
26	H	18
27	H	26
28	H	28
29	H	29


> <ALATIS_Mixture_Map>

$$$$
