
    alatis_output_mol

 36 37  0  0  0  0  0  0  0  0999 V2000
    4.9024    3.8700    0.1166 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9038    1.6737   -4.7216 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8447    2.7860   -3.8927 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8846    0.4090   -4.1544 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7727    2.6331   -2.5022 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8305    0.2609   -2.7635 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4567   -0.0713    0.1892 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7379    1.1885    0.1369 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6296   -1.3572    0.1711 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4040   -0.1658   -0.0398 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4054    2.4369    0.3805 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4713    3.7510    0.5611 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7880    1.3620   -1.8902 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7393    1.2089   -0.3428 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8040    2.6656    0.0504 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.9563    4.5647    1.3206 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6801   -1.1568    0.6837 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5522    3.8120    0.9949 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0445    4.8327   -0.3824 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1831    3.0741   -0.5762 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9564    1.7898   -5.8002 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8528    3.7830   -4.3283 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9109   -0.4734   -4.7909 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7126    3.5456   -1.9158 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8168   -0.7575   -2.4061 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7008    0.0965    1.2478 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4147   -0.2317   -0.3198 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3306    1.9698   -0.3532 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7565    1.4084    1.2145 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5579   -1.8215   -0.8134 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1213   -2.1037    0.8047 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5032   -0.4522   -1.0919 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4129   -0.1312    0.3849 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8567    3.3646    0.1815 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3608    2.3065    1.4688 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2444    2.0798   -0.6462 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 12  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  2  0  0  0  0
  2  4  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
  4  6  2  0  0  0  0
  4 23  1  0  0  0  0
  5 13  2  0  0  0  0
  5 24  1  0  0  0  0
  6 13  1  0  0  0  0
  6 25  1  0  0  0  0
  7 14  1  0  0  0  0
  7 26  1  0  0  0  0
  7 27  1  0  0  0  0
  8 14  1  0  0  0  0
  8 28  1  0  0  0  0
  8 29  1  0  0  0  0
  9  7  1  0  0  0  0
  9 30  1  0  0  0  0
  9 31  1  0  0  0  0
 10  8  1  0  0  0  0
 10 32  1  0  0  0  0
 10 33  1  0  0  0  0
 11 14  1  0  0  0  0
 11 34  1  0  0  0  0
 11 35  1  0  0  0  0
 12 15  1  0  0  0  0
 13 14  1  0  0  0  0
 15 11  1  0  0  0  0
 15 36  1  0  0  0  0
 16 12  2  0  0  0  0
 17  9  1  0  0  0  0
 17 10  1  0  0  0  0
M  END
>  <ID>
Z384468096

>  <Barcode>
0110705843

>  <Well>
B12

>  <Plate_ID>
816280-02

>  <MW>
233.31

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

> <ALATIS_Standard_InChI>
InChI=1S/C14H19NO2/c1-12(16)15-11-14(7-9-17-10-8-14)13-5-3-2-4-6-13/h2-6H,7-11H2,1H3,(H,15,16)

> <ALATIS_Warnings>

> <ALATIS_Errors>

> <ALATIS_Map>
new index	atom name	original index
1	C	10
2	C	17
3	C	15
4	C	16
5	C	14
6	C	13
7	C	8
8	C	9
9	C	12
10	C	11
11	C	4
12	C	2
13	C	5
14	C	1
15	N	3
16	O	6
17	O	7
18	H	26
19	H	27
20	H	25
21	H	36
22	H	34
23	H	35
24	H	33
25	H	32
26	H	21
27	H	22
28	H	23
29	H	24
30	H	30
31	H	31
32	H	28
33	H	29
34	H	19
35	H	20
36	H	18


> <ALATIS_Mixture_Map>

$$$$
