
    alatis_output_mol

 36 38  0  0  0  0  0  0  0  0999 V2000
    3.0849    0.9285   -1.1930 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7645   -0.4190   -1.7750 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1014    0.3608    0.2192 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9155    1.8964   -1.6085 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4904    0.5038    0.1796 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3140    2.0499   -1.6299 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2456    2.5746   -1.1749 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2010    0.1327   -1.1517 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6552    2.5053   -0.5522 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6051    0.1374   -0.5312 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3244   -0.0778   -0.3697 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2994    1.0281   -0.6990 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1272    1.3258   -0.7579 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8728   -0.0106   -0.0284 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1008    0.8575   -0.7785 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5113    1.3774   -0.7472 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4837   -0.7441    0.8718 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.3507    1.3015   -0.9335 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1151    1.1212   -0.9082 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5906    1.7984   -1.6004 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0149   -0.4839   -2.5553 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5691   -1.1398   -1.8819 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6916   -0.2888    0.9835 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3261    2.4591   -2.3273 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0862   -0.0374    0.9094 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7538    2.7175   -2.3647 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3237    2.5968   -2.2690 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7485    3.4899   -0.8355 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6654   -0.7690   -0.8345 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2804    0.1092   -2.2469 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5976    2.5444    0.5428 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.2573    3.3551   -0.8866 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5445    0.1115    0.5641 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.1615   -0.7464   -0.8575 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8968   -0.5453    0.4299 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5672    1.3705   -1.5109 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 11  1  0  0  0  0
  1 19  1  0  0  0  0
  1 20  1  0  0  0  0
  2  1  1  0  0  0  0
  2 11  1  0  0  0  0
  2 21  1  0  0  0  0
  2 22  1  0  0  0  0
  3 12  2  0  0  0  0
  3 23  1  0  0  0  0
  4 12  1  0  0  0  0
  4 24  1  0  0  0  0
  5  3  1  0  0  0  0
  5 25  1  0  0  0  0
  6  4  2  0  0  0  0
  6 26  1  0  0  0  0
  7 16  1  0  0  0  0
  7 27  1  0  0  0  0
  7 28  1  0  0  0  0
  8 16  1  0  0  0  0
  8 29  1  0  0  0  0
  8 30  1  0  0  0  0
  9  7  1  0  0  0  0
  9 31  1  0  0  0  0
  9 32  1  0  0  0  0
 10  8  1  0  0  0  0
 10 33  1  0  0  0  0
 10 34  1  0  0  0  0
 11 14  1  0  0  0  0
 11 35  1  0  0  0  0
 12 15  1  0  0  0  0
 13  5  2  0  0  0  0
 13  6  1  0  0  0  0
 15 14  1  0  0  0  0
 15 36  1  0  0  0  0
 16 13  1  0  0  0  0
 17 14  2  0  0  0  0
 18  9  1  0  0  0  0
 18 10  1  0  0  0  0
M  END
>  <ID>
Z30485868

>  <Barcode>
0110770207

>  <Well>
F08

>  <Plate_ID>
816280-08

>  <MW>
246.31

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

> <ALATIS_Standard_InChI>
InChI=1S/C14H18N2O2/c17-14(11-1-2-11)15-12-3-5-13(6-4-12)16-7-9-18-10-8-16/h3-6,11H,1-2,7-10H2,(H,15,17)

> <ALATIS_Warnings>

> <ALATIS_Errors>

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


> <ALATIS_Mixture_Map>

$$$$
