
    alatis_output_mol

 34 35  0  0  0  0  0  0  0  0999 V2000
    4.4470    3.4764    0.2096 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8971    3.6640   -3.2460 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1908    4.1545   -3.2093 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4706    2.7559   -2.2738 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0468    3.7577   -2.1877 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2219   -1.2740    2.1012 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7523   -1.2203    1.7168 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2391    0.0780   -0.3244 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8717   -1.0434   -0.1139 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6147    1.4220    0.1004 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6065    0.2963    0.1866 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2992    2.3337   -1.2138 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6094    2.8817   -1.1770 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4410   -1.3185    2.4200 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5650   -1.1139    0.2516 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8108    1.4591   -0.2451 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4129    2.5480   -0.1063 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2878    3.3651   -0.4830 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8140    3.2500    1.2150 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0808    4.5097    0.2189 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2134    3.9774   -4.0302 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5313    4.8574   -3.9658 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5379    2.3660   -2.3748 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0562    4.1544   -2.1957 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2853   -2.1469    2.0718 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2804   -0.3920    2.2562 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3081    0.0767   -0.0845 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1962   -0.0092   -1.4186 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4159   -1.8735    0.3541 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9372   -1.2286   -1.1949 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1855    2.2515   -0.3297 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7075    1.5520    1.1848 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7850    0.3776    1.2650 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5843    0.2461   -0.3049 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 17  1  0  0  0  0
  1 18  1  0  0  0  0
  1 19  1  0  0  0  0
  1 20  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  2  0  0  0  0
  2 21  1  0  0  0  0
  3  5  2  0  0  0  0
  3 22  1  0  0  0  0
  4 12  1  0  0  0  0
  4 23  1  0  0  0  0
  5 13  1  0  0  0  0
  5 24  1  0  0  0  0
  6  7  1  0  0  0  0
  7 15  1  0  0  0  0
  7 25  1  0  0  0  0
  7 26  1  0  0  0  0
  8 10  1  0  0  0  0
  8 27  1  0  0  0  0
  8 28  1  0  0  0  0
  9 11  1  0  0  0  0
  9 29  1  0  0  0  0
  9 30  1  0  0  0  0
 10 16  1  0  0  0  0
 10 31  1  0  0  0  0
 10 32  1  0  0  0  0
 11 16  1  0  0  0  0
 11 33  1  0  0  0  0
 11 34  1  0  0  0  0
 12 16  1  0  0  0  0
 13 12  2  0  0  0  0
 14  6  3  0  0  0  0
 15  8  1  0  0  0  0
 15  9  1  0  0  0  0
 17 13  1  0  0  0  0
M  END
>  <ID>
Z2856434807

>  <Barcode>
9990529611

>  <Well>
B04

>  <Plate_ID>
816280-04

>  <MW>
231.30

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

> <ALATIS_Standard_InChI>
InChI=1S/C13H17N3O/c1-17-13-5-3-2-4-12(13)16-10-8-15(7-6-14)9-11-16/h2-5H,7-11H2,1H3

> <ALATIS_Warnings>

> <ALATIS_Errors>

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


> <ALATIS_Mixture_Map>

$$$$
