
    alatis_output_mol

 37 39  0  0  0  0  0  0  0  0999 V2000
    1.0243   -6.0992   -1.6964 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9712    0.9806   -2.3242 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2780    2.1794   -2.1633 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5352   -0.1889   -1.6863 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1298    2.2436   -1.3763 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9432   -4.6567   -2.4012 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0699   -5.8871   -0.2634 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4906   -3.3970   -1.6627 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6711   -4.6176    0.4905 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6098   -0.4559    0.4909 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0125   -2.5806    0.0883 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4990   -5.9311   -1.6832 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6824   -1.1204   -0.0824 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3864   -0.1497   -0.8684 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7103    1.0661   -0.7427 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6253    0.8431    0.0714 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8233   -3.3640   -0.2391 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5431   -5.3093   -1.1483 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4031   -6.0911   -2.7234 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3091   -7.0537   -1.2404 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8609    0.9489   -2.9480 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6370    3.0767   -2.6657 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0802   -1.1166   -1.8282 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5866    3.1739   -1.2587 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5490   -4.6440   -3.4247 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0379   -4.6541   -2.4878 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1648   -5.9462   -0.3159 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7378   -6.7672    0.3011 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5981   -3.3021   -1.7520 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8911   -2.5278   -2.1975 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2120   -4.5932    1.4462 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3836   -4.7020    0.7758 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1771   -0.8228    1.1366 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2945   -2.7118    1.1416 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8758   -2.8853   -0.5132 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9290   -6.7947   -2.2060 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0619    1.5419    0.3164 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 12  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  2  0  0  0  0
  2 21  1  0  0  0  0
  3  5  2  0  0  0  0
  3 22  1  0  0  0  0
  4 14  1  0  0  0  0
  4 23  1  0  0  0  0
  5 15  1  0  0  0  0
  5 24  1  0  0  0  0
  6  8  1  0  0  0  0
  6 12  1  0  0  0  0
  6 25  1  0  0  0  0
  6 26  1  0  0  0  0
  7  9  1  0  0  0  0
  7 27  1  0  0  0  0
  7 28  1  0  0  0  0
  8 17  1  0  0  0  0
  8 29  1  0  0  0  0
  8 30  1  0  0  0  0
  9 17  1  0  0  0  0
  9 31  1  0  0  0  0
  9 32  1  0  0  0  0
 10 13  2  0  0  0  0
 10 33  1  0  0  0  0
 11 13  1  0  0  0  0
 11 34  1  0  0  0  0
 11 35  1  0  0  0  0
 12  7  1  0  0  0  0
 12 36  1  0  0  0  0
 14 13  1  0  0  0  0
 15 14  2  0  0  0  0
 15 16  1  0  0  0  0
 16 10  1  0  0  0  0
 16 37  1  0  0  0  0
 17 11  1  0  0  0  0
M  END
>  <ID>
Z2856434912

>  <Barcode>
0110770181

>  <Well>
H06

>  <Plate_ID>
816280-08

>  <MW>
228.34

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

> <ALATIS_Standard_InChI>
InChI=1S/C15H20N2/c1-12-6-8-17(9-7-12)11-13-10-16-15-5-3-2-4-14(13)15/h2-5,10,12,16H,6-9,11H2,1H3

> <ALATIS_Warnings>

> <ALATIS_Errors>

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


> <ALATIS_Mixture_Map>

$$$$
