
    alatis_output_mol

 33 34  0  0  0  0  0  0  0  0999 V2000
    7.5636    0.3937   -1.2499 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9054    0.1697   -0.0449 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8351    0.7728   -2.3732 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5145    0.3009    0.0356 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4455    0.9048   -2.2923 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2456    0.7984   -1.0816 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9324    0.7583   -0.3368 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6089    0.3290   -2.6797 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2995    0.9538   -0.5575 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9812    0.5231   -2.9056 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5008   -0.0772   -0.0766 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7576    0.6455   -1.0960 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0666    0.4285   -1.3892 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8153    0.8284   -1.8374 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9921    0.1086   -0.0135 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3233    0.2055   -1.2202 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1562    1.0155   -1.9992 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4506    0.0785    1.0959 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.6430    0.2824   -1.3127 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4762   -0.1101    0.8380 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3458    0.9659   -3.3118 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0448    0.1315    1.0008 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8992    1.2110   -3.1831 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0053    1.8545   -0.9128 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8844    0.5482   -2.0869 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5761    0.8790    0.6819 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9768    0.0856   -3.5302 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9525    1.2003    0.2745 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3755    0.4296   -3.9119 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7105   -1.1395   -0.2454 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8617    0.1671    0.9314 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8449    0.0161   -2.0643 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3884    0.8543   -2.9276 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1 19  1  0  0  0  0
  2  4  1  0  0  0  0
  2 20  1  0  0  0  0
  3  5  2  0  0  0  0
  3 21  1  0  0  0  0
  4 12  2  0  0  0  0
  4 22  1  0  0  0  0
  5 12  1  0  0  0  0
  5 23  1  0  0  0  0
  6 11  1  0  0  0  0
  6 24  1  0  0  0  0
  6 25  1  0  0  0  0
  7 13  1  0  0  0  0
  7 26  1  0  0  0  0
  8 13  2  0  0  0  0
  8 27  1  0  0  0  0
  9  7  2  0  0  0  0
  9 14  1  0  0  0  0
  9 28  1  0  0  0  0
 10  8  1  0  0  0  0
 10 29  1  0  0  0  0
 11 15  1  0  0  0  0
 11 30  1  0  0  0  0
 11 31  1  0  0  0  0
 12  6  1  0  0  0  0
 13 16  1  0  0  0  0
 14 10  2  0  0  0  0
 16 15  1  0  0  0  0
 16 32  1  0  0  0  0
 17 14  1  0  0  0  0
 17 33  1  0  0  0  0
 18 15  2  0  0  0  0
M  END
>  <ID>
Z69118333

>  <Barcode>
9990529578

>  <Well>
E06

>  <Plate_ID>
816280-04

>  <MW>
241.29

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

> <ALATIS_Standard_InChI>
InChI=1S/C15H15NO2/c17-14-9-7-13(8-10-14)16-15(18)11-6-12-4-2-1-3-5-12/h1-5,7-10,17H,6,11H2,(H,16,18)

> <ALATIS_Warnings>

> <ALATIS_Errors>

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


> <ALATIS_Mixture_Map>

$$$$
