
    alatis_output_mol

 29 30  0  0  0  0  0  0  0  0999 V2000
    1.2090    3.4535   -0.3968 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7088    4.5191    1.0671 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2592    4.8440    0.6606 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3243    3.0292    0.9607 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2501   -0.7244    0.4569 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1503    0.6569    0.5948 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2228    3.4583   -0.0439 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2997   -1.3744   -0.3043 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1176    1.3566   -0.0304 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3832   -2.8496   -0.5099 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5705   -3.4190   -1.3089 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7188   -0.7070   -0.8938 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8091    0.6674   -0.7397 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0322    2.7637    0.1505 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2683   -3.5265    0.0029 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1132    2.8362   -0.4383 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0102    3.8160   -1.4119 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4509    4.3164    0.2332 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4559    4.8401    0.3325 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0113    4.8634    2.0593 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5852    4.9494    1.5200 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1387    5.7142    0.0095 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9545    2.6088    1.9038 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1037    2.3750    0.5614 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0523   -1.2750    0.9353 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8712    1.1826    1.2124 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5476    3.4840   -1.0917 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2955   -2.8599   -1.7431 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5270   -4.4137   -1.4821 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 14  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  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2 19  1  0  0  0  0
  2 20  1  0  0  0  0
  3  7  1  0  0  0  0
  3 21  1  0  0  0  0
  3 22  1  0  0  0  0
  4  7  1  0  0  0  0
  4 23  1  0  0  0  0
  4 24  1  0  0  0  0
  5  6  2  0  0  0  0
  5  8  1  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 14  1  0  0  0  0
  7 27  1  0  0  0  0
  8 12  2  0  0  0  0
  9 13  2  0  0  0  0
 10  8  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
 13 12  1  0  0  0  0
 14  9  1  0  0  0  0
 15 10  2  0  0  0  0
M  END
>  <ID>
Z1349163663

>  <Barcode>
9990531963

>  <Well>
F04

>  <Plate_ID>
816280-05

>  <MW>
206.25

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

> <ALATIS_Standard_InChI>
InChI=1S/C10H14N4O/c1-14(7-3-2-4-7)9-6-5-8(10(11)15)12-13-9/h5-7H,2-4H2,1H3,(H2,11,15)

> <ALATIS_Warnings>

> <ALATIS_Errors>

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


> <ALATIS_Mixture_Map>

$$$$
