
    alatis_output_mol

 36 37  0  0  0  0  0  0  0  0999 V2000
    6.3580   -9.8916   -1.5107 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0916   -9.1405   -2.6158 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9884   -1.5814    3.0366 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4730   -8.8429   -0.8612 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0517   -7.6607   -2.2308 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4287   -0.6521    2.1628 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7952   -2.6093    2.5413 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5450   -6.3244   -0.6285 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4011   -5.0615   -0.6537 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4732   -1.7899    0.2971 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0765    0.1798   -0.1160 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3555   -7.5973   -0.8677 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6620   -0.7615    0.7889 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0671   -2.7035    1.1707 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5494   -3.8175   -0.4949 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5919    0.9496   -0.8391 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.9389   -3.7259    0.7449 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4743   -2.9958   -1.4029 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7831  -10.7384   -1.8965 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0792  -10.2777   -0.7808 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1182   -9.5042   -2.7270 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5870   -9.2856   -3.5780 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8064   -1.4983    4.1062 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5675   -8.6879   -1.4603 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1683   -9.1296    0.1506 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0600   -7.2354   -2.1815 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4968   -7.0986   -2.9916 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8119    0.1544    2.5540 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2306   -3.3133    3.2463 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7500   -6.2371   -1.3806 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0368   -6.4103    0.3402 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1600   -5.0788    0.1367 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9306   -4.9750   -1.6096 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6209   -1.8631   -0.7774 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1146   -7.6955   -0.0794 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2325   -4.3913    1.4487 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  4  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  5  1  0  0  0  0
  2 21  1  0  0  0  0
  2 22  1  0  0  0  0
  3  6  1  0  0  0  0
  3  7  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
  4 25  1  0  0  0  0
  5 12  1  0  0  0  0
  5 26  1  0  0  0  0
  5 27  1  0  0  0  0
  6 13  2  0  0  0  0
  6 28  1  0  0  0  0
  7 14  1  0  0  0  0
  7 29  1  0  0  0  0
  8  9  1  0  0  0  0
  8 30  1  0  0  0  0
  8 31  1  0  0  0  0
  9 15  1  0  0  0  0
  9 32  1  0  0  0  0
  9 33  1  0  0  0  0
 10 13  1  0  0  0  0
 10 34  1  0  0  0  0
 11 16  3  0  0  0  0
 12  8  1  0  0  0  0
 12 35  1  0  0  0  0
 13 11  1  0  0  0  0
 14 10  2  0  0  0  0
 15 17  1  0  0  0  0
 17 14  1  0  0  0  0
 17 36  1  0  0  0  0
 18 15  2  0  0  0  0
M  END
>  <ID>
Z26548228

>  <Barcode>
0110705941

>  <Well>
A11

>  <Plate_ID>
816280-01

>  <MW>
242.32

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

> <ALATIS_Standard_InChI>
InChI=1S/C15H18N2O/c16-11-13-6-3-7-14(10-13)17-15(18)9-8-12-4-1-2-5-12/h3,6-7,10,12H,1-2,4-5,8-9H2,(H,17,18)

> <ALATIS_Warnings>

> <ALATIS_Errors>

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


> <ALATIS_Mixture_Map>

$$$$
