
    alatis_output_mol

 33 34  0  0  0  0  0  0  0  0999 V2000
   -1.5197    6.2747   -3.9449 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9338    5.4042   -2.8491 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7865   -4.1449    1.2240 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6943   -3.9832   -0.1577 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0295   -3.3356    2.0649 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8587   -2.9993   -0.6979 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2001   -2.3486    1.5244 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5577    0.7332   -1.7647 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5282    2.3630   -0.3443 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0716    1.7801   -2.5415 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0184    3.4001   -1.1253 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2586    1.0304   -0.6729 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1247   -2.1518    0.1441 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7735    3.1141   -2.2375 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8543   -0.0154    0.2008 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3679   -1.1200   -0.4568 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9190    0.2234    1.4020 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3073    4.0456   -3.0882 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6053    6.1531   -3.9995 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1119    5.9910   -4.9202 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2883    7.3286   -3.7617 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1576    5.5096   -2.8665 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3290    5.7357   -1.8819 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4467   -4.8964    1.6444 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2856   -4.6153   -0.8153 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0866   -3.4584    3.1427 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8206   -2.8841   -1.7769 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6215   -1.7441    2.2175 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8241   -0.2917   -2.0066 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1454    2.5982    0.5217 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7159    1.5565   -3.3899 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2591    4.4157   -0.8309 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3643   -1.1002   -1.4684 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  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 18  1  0  0  0  0
  2 22  1  0  0  0  0
  2 23  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  3 24  1  0  0  0  0
  4  6  1  0  0  0  0
  4 25  1  0  0  0  0
  5  7  2  0  0  0  0
  5 26  1  0  0  0  0
  6 13  2  0  0  0  0
  6 27  1  0  0  0  0
  7 13  1  0  0  0  0
  7 28  1  0  0  0  0
  8 12  2  0  0  0  0
  8 29  1  0  0  0  0
  9 12  1  0  0  0  0
  9 30  1  0  0  0  0
 10  8  1  0  0  0  0
 10 31  1  0  0  0  0
 11  9  2  0  0  0  0
 11 14  1  0  0  0  0
 11 32  1  0  0  0  0
 12 15  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 33  1  0  0  0  0
 17 15  2  0  0  0  0
 18 14  1  0  0  0  0
M  END
>  <ID>
Z27782760

>  <Barcode>
0110770205

>  <Well>
F06

>  <Plate_ID>
816280-08

>  <MW>
241.29

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

> <ALATIS_Standard_InChI>
InChI=1S/C15H15NO2/c1-2-18-14-10-8-12(9-11-14)15(17)16-13-6-4-3-5-7-13/h3-11H,2H2,1H3,(H,16,17)

> <ALATIS_Warnings>

> <ALATIS_Errors>

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


> <ALATIS_Mixture_Map>

$$$$
