
    alatis_output_mol

 33 34  0  0  0  0  0  0  0  0999 V2000
    4.3471   -0.7009   -3.8066 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6206   -3.9563    3.2643 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9891   -3.9431    1.9205 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7879   -2.9595    3.7704 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2266    2.9060   -4.1061 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6627    3.1462   -2.8605 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7746    1.6580   -4.3872 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5520   -2.9142    1.0864 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3178   -1.9514    2.9315 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6357    2.1334   -1.9011 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4680   -0.0508   -0.0724 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7452    0.6261   -3.4333 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7314   -1.9076    1.6014 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1501    0.8639   -2.1833 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9243   -0.0810   -0.0867 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2495   -0.8659    0.8089 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2524    0.6893   -0.7784 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1031   -0.2056   -1.3279 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8189   -1.1201   -4.6694 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2975   -1.4363   -2.9989 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4038   -0.5706   -4.0642 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9757   -4.7490    3.9179 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6143   -4.7392    1.5195 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5065   -2.9638    4.8214 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2350    3.6899   -4.8601 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2232    4.1135   -2.6349 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2181    1.4808   -5.3678 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8233   -2.9344    0.0328 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3229   -1.1742    3.3379 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1659    2.3731   -0.9531 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7893    0.8670    0.4361 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8705   -0.8378    0.5643 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6992   -0.5486    0.9642 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 12  1  0  0  0  0
  1 19  1  0  0  0  0
  1 20  1  0  0  0  0
  1 21  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  2 22  1  0  0  0  0
  3  8  1  0  0  0  0
  3 23  1  0  0  0  0
  4  9  2  0  0  0  0
  4 24  1  0  0  0  0
  5  7  2  0  0  0  0
  5 25  1  0  0  0  0
  6  5  1  0  0  0  0
  6 10  2  0  0  0  0
  6 26  1  0  0  0  0
  7 12  1  0  0  0  0
  7 27  1  0  0  0  0
  8 13  2  0  0  0  0
  8 28  1  0  0  0  0
  9 13  1  0  0  0  0
  9 29  1  0  0  0  0
 10 14  1  0  0  0  0
 10 30  1  0  0  0  0
 11 15  1  0  0  0  0
 11 31  1  0  0  0  0
 11 32  1  0  0  0  0
 12 14  2  0  0  0  0
 13 16  1  0  0  0  0
 14 18  1  0  0  0  0
 16 15  1  0  0  0  0
 16 33  1  0  0  0  0
 17 15  2  0  0  0  0
 18 11  1  0  0  0  0
M  END
>  <ID>
Z19733979

>  <Barcode>
9990529540

>  <Well>
H05

>  <Plate_ID>
816280-04

>  <MW>
241.29

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

> <ALATIS_Standard_InChI>
InChI=1S/C15H15NO2/c1-12-7-5-6-10-14(12)18-11-15(17)16-13-8-3-2-4-9-13/h2-10H,11H2,1H3,(H,16,17)

> <ALATIS_Warnings>

> <ALATIS_Errors>

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


> <ALATIS_Mixture_Map>

$$$$
