
    alatis_output_mol

 26 27  0  0  0  0  0  0  0  0999 V2000
    3.1145    1.3564    0.2696 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5782   -1.4894   -2.9728 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2127   -1.0964   -1.6885 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0137   -1.4495   -0.0016 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1901   -2.0031    1.1249 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7245   -1.1858   -4.0211 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2390   -0.1354   -2.6127 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5629   -0.0294   -0.0867 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.0052   -0.4180   -1.4829 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4857   -1.3568   -0.0488 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5666   -0.5092   -3.8729 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0985   -0.0267    0.0857 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2074    1.3805    0.1782 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8677    1.6248    1.3029 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7128    2.1367   -0.3879 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5018   -2.0292   -3.1524 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8653   -1.3296   -0.8509 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4888   -2.1446   -0.6850 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5822   -0.5434    0.1700 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2165   -1.4818    2.0726 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1136   -3.0805    1.2128 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9542   -1.4889   -5.0376 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2925    0.3942   -2.5316 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9830   -0.7482    0.6301 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9557   -2.0288   -0.7665 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8675    0.3894    0.9863 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  8  1  0  0  0  0
  1 13  1  0  0  0  0
  1 14  1  0  0  0  0
  1 15  1  0  0  0  0
  2  3  2  0  0  0  0
  2 16  1  0  0  0  0
  3  9  1  0  0  0  0
  3 17  1  0  0  0  0
  4 10  1  0  0  0  0
  4 18  1  0  0  0  0
  4 19  1  0  0  0  0
  5  4  1  0  0  0  0
  5 10  1  0  0  0  0
  5 20  1  0  0  0  0
  5 21  1  0  0  0  0
  6  2  1  0  0  0  0
  6 11  2  0  0  0  0
  6 22  1  0  0  0  0
  7  9  2  0  0  0  0
  7 23  1  0  0  0  0
  8 12  1  0  0  0  0
  8 24  1  0  0  0  0
  9  8  1  0  0  0  0
 10 12  1  0  0  0  0
 10 25  1  0  0  0  0
 11  7  1  0  0  0  0
 12 26  1  0  0  0  0
M  END
>  <ID>
Z1263529721

>  <Barcode>
9990531679

>  <Well>
F08

>  <Plate_ID>
816280-06

>  <MW>
162.24

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

> <ALATIS_Standard_InChI>
InChI=1S/C10H14N2/c1-8(12-10-4-5-10)9-3-2-6-11-7-9/h2-3,6-8,10,12H,4-5H2,1H3/t8-/m1/s1

> <ALATIS_Warnings>

> <ALATIS_Errors>

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


> <ALATIS_Mixture_Map>

$$$$
