
    alatis_output_mol

 38 40  0  0  0  0  0  0  0  0999 V2000
   -4.1754   -8.7488    0.3556 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2274   -8.8120   -0.6629 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6689   -7.5154    0.7730 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6408    0.5723    1.8400 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7133    0.6216    1.4360 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7719   -7.6391   -1.2643 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2196   -6.3406    0.1751 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0255   -3.4991    0.6917 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0027   -2.4302   -1.5570 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2297   -0.4941    1.1922 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9121   -0.4171    0.5560 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8231   -4.8619    0.0319 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8077   -3.8179   -2.1816 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7487   -5.1122   -1.4845 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2581   -6.3921   -0.8496 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3502   -2.4340   -0.1750 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2943   -4.9364   -1.3607 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2602   -1.1298    0.4628 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5268   -9.6618    0.8278 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8350   -9.7732   -0.9841 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4062   -7.4683    1.5699 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1310    1.2372    2.5381 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4680    1.3275    1.7580 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0188   -7.6934   -2.0469 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6047   -5.3841    0.5200 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0964   -3.2895    0.8123 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5906   -3.5078    1.6978 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5461   -1.6689   -2.2001 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0699   -2.1844   -1.4867 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2439   -0.8673    1.2352 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8029   -0.7315    0.0268 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2509   -5.0905    0.0332 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2709   -5.6394    0.6599 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2668   -3.9725   -2.3540 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2594   -3.8444   -3.1825 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0210   -5.1708   -2.5479 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2860   -4.2469   -1.0787 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6971   -2.7449   -0.3058 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 19  1  0  0  0  0
  2  6  1  0  0  0  0
  2 20  1  0  0  0  0
  3  7  2  0  0  0  0
  3 21  1  0  0  0  0
  4  5  1  0  0  0  0
  4 10  2  0  0  0  0
  4 22  1  0  0  0  0
  5 11  2  0  0  0  0
  5 23  1  0  0  0  0
  6 15  2  0  0  0  0
  6 24  1  0  0  0  0
  7 15  1  0  0  0  0
  7 25  1  0  0  0  0
  8 16  1  0  0  0  0
  8 26  1  0  0  0  0
  8 27  1  0  0  0  0
  9 16  1  0  0  0  0
  9 28  1  0  0  0  0
  9 29  1  0  0  0  0
 10 18  1  0  0  0  0
 10 30  1  0  0  0  0
 11 18  1  0  0  0  0
 11 31  1  0  0  0  0
 12  8  1  0  0  0  0
 12 32  1  0  0  0  0
 12 33  1  0  0  0  0
 13  9  1  0  0  0  0
 13 17  1  0  0  0  0
 13 34  1  0  0  0  0
 13 35  1  0  0  0  0
 14 17  1  0  0  0  0
 14 36  1  0  0  0  0
 14 37  1  0  0  0  0
 15 14  1  0  0  0  0
 16 18  1  0  0  0  0
 16 38  1  0  0  0  0
 17 12  1  0  0  0  0
M  END
>  <ID>
Z2856434898

>  <Barcode>
9990531673

>  <Well>
F02

>  <Plate_ID>
816280-06

>  <MW>
240.35

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

> <ALATIS_Standard_InChI>
InChI=1S/C16H20N2/c1-2-6-15(7-3-1)14-17-12-8-16(9-13-17)18-10-4-5-11-18/h1-7,10-11,16H,8-9,12-14H2

> <ALATIS_Warnings>

> <ALATIS_Errors>

> <ALATIS_Map>
new index	atom name	original index
1	C	18
2	C	16
3	C	17
4	C	8
5	C	9
6	C	15
7	C	14
8	C	6
9	C	7
10	C	5
11	C	4
12	C	10
13	C	11
14	C	12
15	C	13
16	C	3
17	N	2
18	N	1
19	H	38
20	H	36
21	H	37
22	H	26
23	H	27
24	H	35
25	H	34
26	H	22
27	H	23
28	H	24
29	H	25
30	H	21
31	H	20
32	H	28
33	H	29
34	H	30
35	H	31
36	H	32
37	H	33
38	H	19


> <ALATIS_Mixture_Map>

$$$$
