
    alatis_output_mol

 37 38  0  0  0  0  0  0  0  0999 V2000
    1.4832    2.0284    0.1156 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4801   -6.4162    2.2643 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9589   -6.4547    2.3249 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9778   -5.3800    1.2619 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3846   -6.7387    0.9401 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2885   -5.4579   -0.1077 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0427   -4.2976    0.1765 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4964   -4.2871    0.1958 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7165   -0.4896   -0.1895 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6433    0.8201    0.2328 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7491   -5.6474   -0.0753 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4816   -1.0931    0.2893 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0415   -2.9119    0.6753 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8859   -2.4069    0.0832 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2049   -0.1825    0.9510 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6737   -2.3440    1.5644 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5086    0.9970    0.9162 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3892    1.8426   -0.4693 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7786    2.3867    1.1048 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9195    2.8313   -0.3757 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8866   -6.1944    3.2582 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8581   -7.4077    1.9858 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5768   -5.5036    2.7135 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6388   -7.2327    3.0259 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.0594   -5.5113    1.1259 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8424   -4.3781    1.6857 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3014   -6.8735    1.0022 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7890   -7.6966    0.5845 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7255   -6.3010   -0.6573 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5469   -4.5576   -0.6803 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3593   -3.5938   -0.6051 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4264   -3.8808    1.1145 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0994   -5.0164    0.9077 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0926   -4.5180   -0.7963 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5191   -0.9362   -0.7604 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4394   -5.9915   -1.0706 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3047   -2.9964   -0.4937 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 10  1  0  0  0  0
  1 18  1  0  0  0  0
  1 19  1  0  0  0  0
  1 20  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2 21  1  0  0  0  0
  2 22  1  0  0  0  0
  3  5  1  0  0  0  0
  3 23  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
  4 26  1  0  0  0  0
  5 11  1  0  0  0  0
  5 27  1  0  0  0  0
  5 28  1  0  0  0  0
  6 11  1  0  0  0  0
  6 29  1  0  0  0  0
  6 30  1  0  0  0  0
  7  8  1  0  0  0  0
  7 31  1  0  0  0  0
  7 32  1  0  0  0  0
  8 13  1  0  0  0  0
  8 33  1  0  0  0  0
  8 34  1  0  0  0  0
  9 12  1  0  0  0  0
  9 35  1  0  0  0  0
 10  9  2  0  0  0  0
 11  7  1  0  0  0  0
 11 36  1  0  0  0  0
 13 14  1  0  0  0  0
 14 12  1  0  0  0  0
 14 37  1  0  0  0  0
 15 12  2  0  0  0  0
 16 13  2  0  0  0  0
 17 10  1  0  0  0  0
 17 15  1  0  0  0  0
M  END
>  <ID>
Z86949053

>  <Barcode>
0110770218

>  <Well>
E06

>  <Plate_ID>
816280-08

>  <MW>
236.32

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

> <ALATIS_Standard_InChI>
InChI=1S/C13H20N2O2/c1-10-9-12(15-17-10)14-13(16)8-7-11-5-3-2-4-6-11/h9,11H,2-8H2,1H3,(H,14,15,16)

> <ALATIS_Warnings>

> <ALATIS_Errors>

> <ALATIS_Map>
new index	atom name	original index
1	C	12
2	C	17
3	C	15
4	C	16
5	C	14
6	C	13
7	C	10
8	C	9
9	C	3
10	C	6
11	C	11
12	C	1
13	C	7
14	N	4
15	N	2
16	O	8
17	O	5
18	H	25
19	H	26
20	H	27
21	H	36
22	H	37
23	H	32
24	H	33
25	H	34
26	H	35
27	H	30
28	H	31
29	H	28
30	H	29
31	H	22
32	H	23
33	H	20
34	H	21
35	H	18
36	H	24
37	H	19


> <ALATIS_Mixture_Map>

$$$$
