
    alatis_output_mol

 35 37  0  0  0  0  0  0  0  0999 V2000
   -6.7403   -3.0675   -2.2509 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1399   -1.6837   -2.4810 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3358   -3.6586   -0.9054 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0755   -0.5126    0.4810 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0327    0.8576    0.2079 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4272   -0.7365   -1.3180 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5931   -2.6901    0.2539 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8993   -1.2647    0.5308 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8190    1.5245   -0.0215 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9565   -1.3037    0.0269 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3190   -0.6136    0.3048 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3416    0.7486    0.0387 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4288   -1.3838    0.1748 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3938   -0.1284    0.0582 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5809   -1.1267    0.3021 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6793    1.0344   -0.1183 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7675   -0.1789   -0.0264 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8951   -2.4424    0.5000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4255   -3.7412   -3.0564 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8338   -3.0027   -2.3004 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0567   -1.7702   -2.6262 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5505   -1.2610   -3.4052 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8871   -4.5899   -0.7320 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2757   -3.9349   -0.9419 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0285   -1.0056    0.6578 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9654    1.4172    0.1745 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9759    0.2395   -1.5234 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5115   -0.5669   -1.2651 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6763   -2.5691    0.3789 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2229   -3.1360    1.1854 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9105   -2.3286    0.7412 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7963    2.5876   -0.2317 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3015   -0.6380    0.8295 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0642    1.9417   -0.3227 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2889    0.6627   -0.2156 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 19  1  0  0  0  0
  1 20  1  0  0  0  0
  2  6  1  0  0  0  0
  2 21  1  0  0  0  0
  2 22  1  0  0  0  0
  3  7  1  0  0  0  0
  3 23  1  0  0  0  0
  3 24  1  0  0  0  0
  4  8  2  0  0  0  0
  4 25  1  0  0  0  0
  5  4  1  0  0  0  0
  5  9  2  0  0  0  0
  5 26  1  0  0  0  0
  6 10  1  0  0  0  0
  6 27  1  0  0  0  0
  6 28  1  0  0  0  0
  7 10  1  0  0  0  0
  7 29  1  0  0  0  0
  7 30  1  0  0  0  0
  8 11  1  0  0  0  0
  8 31  1  0  0  0  0
  9 12  1  0  0  0  0
  9 32  1  0  0  0  0
 10 13  1  0  0  0  0
 10 33  1  0  0  0  0
 11 15  1  0  0  0  0
 12 11  2  0  0  0  0
 12 16  1  0  0  0  0
 13 17  1  0  0  0  0
 15 14  2  0  0  0  0
 16 14  1  0  0  0  0
 16 34  1  0  0  0  0
 17 14  1  0  0  0  0
 17 35  1  0  0  0  0
 18 13  2  0  0  0  0
M  END
>  <ID>
Z27666218

>  <Barcode>
0110770176

>  <Well>
H01

>  <Plate_ID>
816280-08

>  <MW>
243.31

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

> <ALATIS_Standard_InChI>
InChI=1S/C14H17N3O/c18-13(10-6-2-1-3-7-10)17-14-15-11-8-4-5-9-12(11)16-14/h4-5,8-10H,1-3,6-7H2,(H2,15,16,17,18)

> <ALATIS_Warnings>

> <ALATIS_Errors>

> <ALATIS_Map>
new index	atom name	original index
1	C	18
2	C	16
3	C	17
4	C	14
5	C	15
6	C	13
7	C	12
8	C	10
9	C	11
10	C	9
11	C	6
12	C	7
13	C	5
14	C	1
15	N	2
16	N	4
17	N	3
18	O	8
19	H	34
20	H	35
21	H	30
22	H	31
23	H	32
24	H	33
25	H	28
26	H	29
27	H	26
28	H	27
29	H	24
30	H	25
31	H	22
32	H	23
33	H	21
34	H	20
35	H	19


> <ALATIS_Mixture_Map>

$$$$
