
    alatis_output_mol

 28 29  0  0  0  0  0  0  0  0999 V2000
    2.3657   -3.0139   -1.2967 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9265    1.3005    0.0093 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1875   -2.3544    0.0600 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1146    0.6259   -0.0077 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0711   -0.7695   -0.0129 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9322    1.3734   -0.0195 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8529   -1.4631   -0.0252 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4256    1.4567   -0.0090 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2928    0.6942   -0.0326 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3176   -0.6942   -0.0306 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3798    0.1796   -0.0352 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7568    0.2434   -0.0299 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5588    1.2037   -0.0423 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.6642   -1.0049   -0.0259 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.9430    2.5841   -0.0011 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4267   -3.0323   -1.8602 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7029   -4.0480   -1.1705 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1097   -2.4847   -1.9005 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3205    1.7827    0.9086 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3427    1.7866   -0.8778 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2375    0.2530    0.0119 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4952   -2.9416    0.6733 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1371   -2.3264    0.6040 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0706    1.1415    0.0068 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0039   -1.3294   -0.0045 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9483    2.4568   -0.0135 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8333   -2.5476   -0.0290 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2886   -0.6119   -0.0371 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  1  0  0  0  0
  1 16  1  0  0  0  0
  1 17  1  0  0  0  0
  1 18  1  0  0  0  0
  2  8  1  0  0  0  0
  2 19  1  0  0  0  0
  2 20  1  0  0  0  0
  2 21  1  0  0  0  0
  3 14  1  0  0  0  0
  3 22  1  0  0  0  0
  3 23  1  0  0  0  0
  4  6  2  0  0  0  0
  4 24  1  0  0  0  0
  5  4  1  0  0  0  0
  5  7  2  0  0  0  0
  5 25  1  0  0  0  0
  6  9  1  0  0  0  0
  6 26  1  0  0  0  0
  7 10  1  0  0  0  0
  7 27  1  0  0  0  0
  8 12  1  0  0  0  0
  9 13  1  0  0  0  0
 10  9  2  0  0  0  0
 10 14  1  0  0  0  0
 12 11  1  0  0  0  0
 12 28  1  0  0  0  0
 13 11  2  0  0  0  0
 14 11  1  0  0  0  0
 15  8  2  0  0  0  0
M  END
>  <ID>
Z68639747

>  <Barcode>
0110770232

>  <Well>
D09

>  <Plate_ID>
816280-08

>  <MW>
203.25

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

> <ALATIS_Standard_InChI>
InChI=1S/C11H13N3O/c1-3-14-10-7-5-4-6-9(10)13-11(14)12-8(2)15/h4-7H,3H2,1-2H3,(H,12,13,15)

> <ALATIS_Warnings>

> <ALATIS_Errors>

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


> <ALATIS_Mixture_Map>

$$$$
