
    alatis_output_mol

 37 38  0  0  0  0  0  0  0  0999 V2000
   -0.7252   -2.1884    0.6288 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3683   -1.4359   -1.7325 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5255    0.6181    1.5228 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1041    0.8652   -0.9150 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2611    4.7084    1.2266 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5087    5.7142    0.1401 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5589    3.6389   -1.0778 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9820   -0.2918    0.1098 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5884    4.2377   -0.1701 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6568    2.2263   -0.4396 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3542   -1.0006   -0.2572 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0585    0.3780    0.0843 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0098    2.4221   -0.5257 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2767    0.9604   -0.1070 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1566    3.1226   -0.6578 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0574   -3.0375    0.4439 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6577   -1.9517    1.6942 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7500   -2.5169    0.4227 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0639   -0.6260   -2.4050 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3231   -2.2697   -1.8987 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3697   -1.7658   -2.0324 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7766    1.6727    1.6837 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7594    0.3528    2.2599 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4196    0.0251    1.7428 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7322    0.8886   -1.9436 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4500    1.8764   -0.6728 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9829    0.2109   -0.8916 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0223    4.6088    1.9925 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2469    4.5856    1.5892 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6506    6.2829   -0.2096 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4288    6.2848    0.1644 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0309    3.3697   -2.0293 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7639    4.3560   -1.3031 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3188   -0.4044    1.1453 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8174   -0.4755   -0.5696 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5720    3.8109   -0.3327 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6235    1.6437   -0.3540 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 11  1  0  0  0  0
  1 16  1  0  0  0  0
  1 17  1  0  0  0  0
  1 18  1  0  0  0  0
  2 11  1  0  0  0  0
  2 19  1  0  0  0  0
  2 20  1  0  0  0  0
  2 21  1  0  0  0  0
  3 12  1  0  0  0  0
  3 22  1  0  0  0  0
  3 23  1  0  0  0  0
  3 24  1  0  0  0  0
  4 12  1  0  0  0  0
  4 25  1  0  0  0  0
  4 26  1  0  0  0  0
  4 27  1  0  0  0  0
  5  6  1  0  0  0  0
  5  9  1  0  0  0  0
  5 28  1  0  0  0  0
  5 29  1  0  0  0  0
  6  9  1  0  0  0  0
  6 30  1  0  0  0  0
  6 31  1  0  0  0  0
  7 13  1  0  0  0  0
  7 32  1  0  0  0  0
  7 33  1  0  0  0  0
  8 11  1  0  0  0  0
  8 14  1  0  0  0  0
  8 34  1  0  0  0  0
  8 35  1  0  0  0  0
  9  7  1  0  0  0  0
  9 36  1  0  0  0  0
 10 14  1  0  0  0  0
 11 12  1  0  0  0  0
 12 14  1  0  0  0  0
 13 10  1  0  0  0  0
 13 37  1  0  0  0  0
 15 10  2  0  0  0  0
M  END
>  <ID>
Z1328078283

>  <Barcode>
0110705786

>  <Well>
F03

>  <Plate_ID>
816280-02

>  <MW>
210.32

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

> <ALATIS_Standard_InChI>
InChI=1S/C12H22N2O/c1-11(2)8-14(12(11,3)4)10(15)13-7-9-5-6-9/h9H,5-8H2,1-4H3,(H,13,15)

> <ALATIS_Warnings>

> <ALATIS_Errors>

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


> <ALATIS_Mixture_Map>

$$$$
