
    alatis_output_mol

 39 40  0  0  0  0  0  0  0  0999 V2000
   -3.1312   -7.0780    1.5245 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9613   -8.2684    1.9475 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0426    1.6260   -2.6417 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3565    2.8876   -2.1331 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8610   -2.2679    0.3038 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0013   -1.0296    1.2288 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2830   -3.4583    0.7482 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5750   -2.2241    1.6709 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1575    0.7689   -1.3920 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5869    2.3795   -1.0501 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9439   -5.8002    1.6327 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7544   -6.9813    2.1801 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2080   -1.0583    0.5254 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9400   -3.4440    1.4276 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8392    0.1906    0.0443 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0501    1.0920   -0.6473 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0323    0.3704    0.2723 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5962   -4.5557    1.8975 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7349   -6.1908    1.7394 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6768   -7.9506    1.9000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0471   -7.1770    0.4368 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0173   -8.2140    2.4373 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7893   -8.4364    0.8779 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4906   -9.1377    2.3480 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0110    1.8237   -3.1086 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4001    1.1270   -3.3773 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1770    3.4230   -2.9239 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0979    3.5696   -1.7017 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8154   -2.2897   -0.2168 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4909   -0.0838    1.4433 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8259   -4.3756    0.5540 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5154   -2.2035    2.2169 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0175    1.0741   -0.7863 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2306   -0.2960   -1.6286 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6109    2.2613   -1.4172 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5986    3.0448   -0.1798 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0370   -5.8006    2.1230 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8212   -5.9274    0.5505 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9054   -6.8418    3.2578 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 12  1  0  0  0  0
  1 19  1  0  0  0  0
  1 20  1  0  0  0  0
  1 21  1  0  0  0  0
  2 12  1  0  0  0  0
  2 22  1  0  0  0  0
  2 23  1  0  0  0  0
  2 24  1  0  0  0  0
  3  4  1  0  0  0  0
  3  9  1  0  0  0  0
  3 25  1  0  0  0  0
  3 26  1  0  0  0  0
  4 10  1  0  0  0  0
  4 27  1  0  0  0  0
  4 28  1  0  0  0  0
  5 13  2  0  0  0  0
  5 29  1  0  0  0  0
  6 13  1  0  0  0  0
  6 30  1  0  0  0  0
  7  5  1  0  0  0  0
  7 31  1  0  0  0  0
  8  6  2  0  0  0  0
  8 14  1  0  0  0  0
  8 32  1  0  0  0  0
  9 16  1  0  0  0  0
  9 33  1  0  0  0  0
  9 34  1  0  0  0  0
 10 16  1  0  0  0  0
 10 35  1  0  0  0  0
 10 36  1  0  0  0  0
 11 18  1  0  0  0  0
 11 37  1  0  0  0  0
 11 38  1  0  0  0  0
 12 11  1  0  0  0  0
 12 39  1  0  0  0  0
 13 15  1  0  0  0  0
 14  7  2  0  0  0  0
 16 15  1  0  0  0  0
 17 15  2  0  0  0  0
 18 14  1  0  0  0  0
M  END
>  <ID>
Z31480458

>  <Barcode>
0110706299

>  <Well>
D12

>  <Plate_ID>
816280-07

>  <MW>
247.34

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

> <ALATIS_Standard_InChI>
InChI=1S/C15H21NO2/c1-12(2)11-18-14-7-5-13(6-8-14)15(17)16-9-3-4-10-16/h5-8,12H,3-4,9-11H2,1-2H3

> <ALATIS_Warnings>

> <ALATIS_Errors>

> <ALATIS_Map>
new index	atom name	original index
1	C	17
2	C	18
3	C	15
4	C	16
5	C	5
6	C	6
7	C	9
8	C	10
9	C	13
10	C	12
11	C	11
12	C	14
13	C	3
14	C	8
15	C	1
16	N	2
17	O	4
18	O	7
19	H	35
20	H	36
21	H	34
22	H	39
23	H	37
24	H	38
25	H	30
26	H	31
27	H	32
28	H	33
29	H	19
30	H	20
31	H	21
32	H	22
33	H	27
34	H	28
35	H	25
36	H	26
37	H	23
38	H	24
39	H	29


> <ALATIS_Mixture_Map>

$$$$
