
    alatis_output_mol

 25 26  0  0  0  0  0  0  0  0999 V2000
    0.2337   -4.4247   -1.1595 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0735   -0.3580    0.5157 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9311   -0.9953   -1.8216 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8118   -1.8320    0.9169 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6999   -2.4600   -1.3873 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3372   -4.6661   -1.9358 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6297   -2.1708   -0.0784 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2778   -3.0318   -0.9078 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6532   -0.1865   -0.8257 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3461   -2.4743   -1.5024 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0401   -2.6250   -0.0726 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0063   -3.5067   -2.1424 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5010   -5.1394   -0.8201 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1444    0.2197    0.5818 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7611    0.0886    1.2436 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9753   -0.5155   -2.0590 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5133   -0.9919   -2.7505 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3170   -1.8621    1.8961 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7803   -2.3284    1.0662 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6775   -2.9596   -1.3300 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1544   -2.9963   -2.1710 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7668   -5.5437   -2.3925 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2421   -2.2148    0.9477 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5377   -1.1267   -0.3971 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6223   -0.5017   -0.8001 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  8  1  0  0  0  0
  1 13  1  0  0  0  0
  2  4  1  0  0  0  0
  2 14  1  0  0  0  0
  2 15  1  0  0  0  0
  3  5  1  0  0  0  0
  3 16  1  0  0  0  0
  3 17  1  0  0  0  0
  4 11  1  0  0  0  0
  4 18  1  0  0  0  0
  4 19  1  0  0  0  0
  5 11  1  0  0  0  0
  5 20  1  0  0  0  0
  5 21  1  0  0  0  0
  6  1  2  0  0  0  0
  6 12  1  0  0  0  0
  6 22  1  0  0  0  0
  7  8  1  0  0  0  0
  7 23  1  0  0  0  0
  7 24  1  0  0  0  0
  8 10  2  0  0  0  0
  9  2  1  0  0  0  0
  9  3  1  0  0  0  0
  9 25  1  0  0  0  0
 11  7  1  0  0  0  0
 12 10  1  0  0  0  0
M  END
>  <ID>
Z1263714198

>  <Barcode>
0110705189

>  <Well>
B05

>  <Plate_ID>
816280-07

>  <MW>
167.21

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

> <ALATIS_Standard_InChI>
InChI=1S/C8H13N3O/c1-6-12-10-8(1)7-11-4-2-9-3-5-11/h1,6,9H,2-5,7H2

> <ALATIS_Warnings>

> <ALATIS_Errors>

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


> <ALATIS_Mixture_Map>

$$$$
