
    alatis_output_mol

 30 31  0  0  1  0  0  0  0  0999 V2000
    4.1725    2.5727    1.2471 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9089   -6.4339   -1.4303 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6677   -6.1354    0.0306 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0347    0.3686    3.0974 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4888    1.6349    2.8294 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4628   -5.1360   -1.9617 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5227   -4.0149    1.1153 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5293   -4.6120    0.1038 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.7466   -0.4901    2.2144 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6191   -1.9570    2.1590 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4380   -2.5728    1.2446 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6024    0.2197    1.4423 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4184    1.4959    1.8420 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.8560   -2.5803    2.8939 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8160   -4.1041   -1.2162 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8767    2.1727    0.5140 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7144    3.0926    2.0406 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4686    3.2548    0.7616 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9578   -6.6673   -1.9218 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5876   -7.2768   -1.5919 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7708   -6.6431    0.4019 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5060   -6.4961    0.6380 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2968    0.0750    3.8312 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2390    2.5969    3.2539 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5415   -5.0577   -1.7896 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2663   -5.0008   -3.0288 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3561   -4.4626    2.1010 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5514   -4.2303    0.8084 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5022   -4.3239    0.3551 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9571   -1.9632    0.6204 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 13  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 19  1  0  0  0  0
  2 20  1  0  0  0  0
  3  8  1  0  0  0  0
  3 21  1  0  0  0  0
  3 22  1  0  0  0  0
  4  9  1  0  0  0  0
  4 23  1  0  0  0  0
  5  4  2  0  0  0  0
  5 13  1  0  0  0  0
  5 24  1  0  0  0  0
  6  2  1  0  0  0  0
  6 15  1  0  0  0  0
  6 25  1  0  0  0  0
  6 26  1  0  0  0  0
  7 11  1  0  0  0  0
  7 27  1  0  0  0  0
  7 28  1  0  0  0  0
  8  7  1  0  0  0  0
  8 29  1  1  0  0  0
 10  9  1  0  0  0  0
 11 10  1  0  0  0  0
 11 30  1  0  0  0  0
 12  9  2  0  0  0  0
 13 12  1  0  0  0  0
 14 10  2  0  0  0  0
 15  8  1  0  0  0  0
M  END
>  <ID>
Z2643472210

>  <Barcode>
0110770208

>  <Well>
F09

>  <Plate_ID>
816280-08

>  <MW>
209.25

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

> <ALATIS_Standard_InChI>
InChI=1S/C10H15N3O2/c1-13-5-4-9(12-13)10(14)11-7-8-3-2-6-15-8/h4-5,8H,2-3,6-7H2,1H3,(H,11,14)/t8-/m0/s1

> <ALATIS_Warnings>

> <ALATIS_Errors>

> <ALATIS_Map>
new index	atom name	original index
1	C	12
2	C	15
3	C	14
4	C	3
5	C	6
6	C	13
7	C	10
8	C	11
9	C	1
10	C	4
11	N	7
12	N	2
13	N	5
14	O	8
15	O	9
16	H	22
17	H	23
18	H	24
19	H	29
20	H	30
21	H	27
22	H	28
23	H	16
24	H	17
25	H	25
26	H	26
27	H	19
28	H	20
29	H	21
30	H	18


> <ALATIS_Mixture_Map>

$$$$
