
    alatis_output_mol

 34 35  0  0  0  0  0  0  0  0999 V2000
    2.2613   10.1082   -0.9504 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4317    9.8239    0.2966 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3015    9.0555   -2.0535 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8483    8.4594    0.4272 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6875    7.6818   -1.7842 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2702    6.1452   -0.2888 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1999    4.9282   -0.3245 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9615    4.1965    3.8446 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9894    5.1736    3.6908 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0989    3.0544    2.0598 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9515    7.4876   -0.4902 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1271    4.0336    1.9035 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1272    3.9048    0.8077 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0409    3.1147    3.0372 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.0445    5.1241    2.7202 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1965    4.9181    0.7262 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.1555    2.9475    0.0410 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9112   11.0529   -1.3899 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2918   10.3224   -0.6378 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0543   10.0150    1.1799 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6102   10.5495    0.3494 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8301    9.4745   -2.9522 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3512    8.9087   -2.3449 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2840    8.2804    1.3409 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0005    7.4518   -2.6097 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4921    6.9397   -1.8469 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4866    6.0280   -1.0760 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2787    6.1385    0.6622 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6043    4.0156   -0.2158 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7179    4.8529   -1.2872 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7108    4.2571    4.6286 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9468    6.0321    4.3526 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1522    2.1919    1.4035 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2777    5.6934    1.3794 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1 18  1  0  0  0  0
  1 19  1  0  0  0  0
  2  4  1  0  0  0  0
  2 20  1  0  0  0  0
  2 21  1  0  0  0  0
  3  5  1  0  0  0  0
  3 22  1  0  0  0  0
  3 23  1  0  0  0  0
  4 11  2  0  0  0  0
  4 24  1  0  0  0  0
  5 11  1  0  0  0  0
  5 25  1  0  0  0  0
  5 26  1  0  0  0  0
  6  7  1  0  0  0  0
  6 27  1  0  0  0  0
  6 28  1  0  0  0  0
  7 16  1  0  0  0  0
  7 29  1  0  0  0  0
  7 30  1  0  0  0  0
  8  9  2  0  0  0  0
  8 14  1  0  0  0  0
  8 31  1  0  0  0  0
  9 15  1  0  0  0  0
  9 32  1  0  0  0  0
 10 12  1  0  0  0  0
 10 33  1  0  0  0  0
 11  6  1  0  0  0  0
 13 12  1  0  0  0  0
 14 10  2  0  0  0  0
 15 12  2  0  0  0  0
 16 13  1  0  0  0  0
 16 34  1  0  0  0  0
 17 13  2  0  0  0  0
M  END
>  <ID>
Z69091635

>  <Barcode>
9990529556

>  <Well>
G04

>  <Plate_ID>
816280-04

>  <MW>
231.30

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

> <ALATIS_Standard_InChI>
InChI=1S/C13H17N3O/c17-13(12-10-14-8-9-15-12)16-7-6-11-4-2-1-3-5-11/h4,8-10H,1-3,5-7H2,(H,16,17)

> <ALATIS_Warnings>

> <ALATIS_Errors>

> <ALATIS_Map>
new index	atom name	original index
1	C	17
2	C	15
3	C	16
4	C	8
5	C	14
6	C	11
7	C	10
8	C	13
9	C	12
10	C	9
11	C	4
12	C	1
13	C	2
14	N	6
15	N	3
16	N	7
17	O	5
18	H	33
19	H	34
20	H	29
21	H	30
22	H	31
23	H	32
24	H	19
25	H	27
26	H	28
27	H	23
28	H	24
29	H	21
30	H	22
31	H	26
32	H	25
33	H	20
34	H	18


> <ALATIS_Mixture_Map>

$$$$
