
    alatis_output_mol

 32 33  0  0  0  0  0  0  0  0999 V2000
   -1.5736   -0.8254   -2.4719 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7704   -1.1825   -3.5501 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9742   -0.4196   -1.2839 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9444   -0.2610    3.0797 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9278    2.0366    2.3313 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6920    0.1075    4.2016 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6733    2.4050    3.4531 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7550    0.2977    0.9183 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6081   -1.1285   -3.3960 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2526    0.3751    1.1796 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5646    0.6975    2.1284 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0556    1.4386    4.3748 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4147   -0.3956   -1.2199 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0858    0.0497    0.0444 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2286   -0.7495   -2.2556 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4646   -0.0142    0.0278 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.7975    1.8396    5.4464 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4348    0.4357    1.0095 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6567   -0.8574   -2.5558 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2102   -1.4948   -4.4916 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5748   -0.1314   -0.4261 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6608   -1.3034    2.9513 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6352    2.8027    1.6168 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9761   -0.6518    4.9231 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9570    3.4425    3.6056 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0319   -0.7198    0.6133 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0236    0.9398    0.0695 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2673   -1.3961   -4.2179 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9658   -0.2772    2.0131 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9585    1.3953    1.4548 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8908   -0.4000   -0.8117 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0401    1.0548    5.9643 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  2  0  0  0  0
  1 19  1  0  0  0  0
  2  1  1  0  0  0  0
  2  9  2  0  0  0  0
  2 20  1  0  0  0  0
  3 13  1  0  0  0  0
  3 21  1  0  0  0  0
  4 11  2  0  0  0  0
  4 22  1  0  0  0  0
  5 11  1  0  0  0  0
  5 23  1  0  0  0  0
  6  4  1  0  0  0  0
  6 24  1  0  0  0  0
  7  5  2  0  0  0  0
  7 12  1  0  0  0  0
  7 25  1  0  0  0  0
  8 10  1  0  0  0  0
  8 26  1  0  0  0  0
  8 27  1  0  0  0  0
  9 15  1  0  0  0  0
  9 28  1  0  0  0  0
 10 16  1  0  0  0  0
 10 29  1  0  0  0  0
 10 30  1  0  0  0  0
 11  8  1  0  0  0  0
 12  6  2  0  0  0  0
 13 14  1  0  0  0  0
 15 13  2  0  0  0  0
 16 14  1  0  0  0  0
 16 31  1  0  0  0  0
 17 12  1  0  0  0  0
 17 32  1  0  0  0  0
 18 14  2  0  0  0  0
M  END
>  <ID>
Z730649594

>  <Barcode>
0110706276

>  <Well>
E12

>  <Plate_ID>
816280-07

>  <MW>
242.28

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

> <ALATIS_Standard_InChI>
InChI=1S/C14H14N2O2/c17-12-6-4-11(5-7-12)8-10-16-14(18)13-3-1-2-9-15-13/h1-7,9,17H,8,10H2,(H,16,18)

> <ALATIS_Warnings>

> <ALATIS_Errors>

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


> <ALATIS_Mixture_Map>

$$$$
