
    alatis_output_mol

 29 30  0  0  0  0  0  0  0  0999 V2000
    0.7561    3.3466   -6.2824 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5111    2.2570   -5.8502 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0954    4.1489   -5.3530 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6108    1.9721   -4.4869 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1958    3.8659   -3.9902 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1028    0.4035    0.2032 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1693    1.3535    0.7477 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0784    2.4822   -2.0671 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1288    2.4824    0.7692 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9634    2.7793   -3.5429 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0823    1.2945   -0.1829 C   0  0  3  0  0  0  0  0  0  0  0  0
   -1.5780    2.6940    0.7330 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0158    1.6277   -1.6147 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6765    3.5654   -7.3447 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0200    1.6270   -6.5745 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4999    4.9927   -5.6901 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1946    1.1139   -4.1617 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3282    4.4969   -3.2755 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4790   -0.2013   -0.6296 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7954   -0.2917    0.9948 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4448    1.0654    1.7688 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0760    1.3353    0.1348 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0455    2.0020   -1.8716 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0924    3.4382   -1.5334 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4107    3.3878    0.4847 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1875    2.2135    1.7847 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0280    0.7766    0.0128 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8860    3.2335    1.5404 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8955    2.1321   -1.7570 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1 14  1  0  0  0  0
  2  4  1  0  0  0  0
  2 15  1  0  0  0  0
  3  5  2  0  0  0  0
  3 16  1  0  0  0  0
  4 10  2  0  0  0  0
  4 17  1  0  0  0  0
  5 10  1  0  0  0  0
  5 18  1  0  0  0  0
  6  7  1  0  0  0  0
  6 11  1  0  0  0  0
  6 19  1  0  0  0  0
  6 20  1  0  0  0  0
  7 12  1  0  0  0  0
  7 21  1  0  0  0  0
  7 22  1  0  0  0  0
  8 13  1  0  0  0  0
  8 23  1  0  0  0  0
  8 24  1  0  0  0  0
  9 12  1  0  0  0  0
  9 25  1  0  0  0  0
  9 26  1  0  0  0  0
 10  8  1  0  0  0  0
 11  9  1  0  0  0  0
 11 27  1  0  0  0  0
 12 28  1  0  0  0  0
 13 11  1  0  0  0  0
 13 29  1  0  0  0  0
M  END
>  <ID>
Z1827898537

>  <Barcode>
9990531710

>  <Well>
C10

>  <Plate_ID>
816280-06

>  <MW>
176.26

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

> <ALATIS_Standard_InChI>
InChI=1S/C11H16N2/c1-2-4-10(5-3-1)8-13-11-6-7-12-9-11/h1-5,11-13H,6-9H2/t11-/m1/s1

> <ALATIS_Warnings>

> <ALATIS_Errors>

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


> <ALATIS_Mixture_Map>

$$$$
