
    alatis_output_mol

 40 41  0  0  0  0  0  0  0  0999 V2000
   -5.2488    0.2372   -1.9421 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9289   -6.2856    3.6266 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9446   -5.1049    4.3699 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4485   -6.2766    2.3192 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0770   -2.5217    2.3204 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4738   -3.9179    3.8096 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9753   -5.0918    1.7549 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3946   -2.6433    1.9188 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7600   -1.2917    1.7177 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4329   -2.3662   -0.4018 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3073    0.0259   -0.2512 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9624   -2.3340   -0.2339 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8424    0.1275   -0.1156 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6521   -1.0622   -1.4641 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9843   -3.9040    2.4980 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7239   -1.2390    0.2477 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5158   -1.0496   -0.6794 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1848   -2.1166   -1.8224 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3274    0.2071   -1.7604 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0677    0.3262   -3.0173 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8719    1.1289   -1.4502 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2858   -7.2089    4.0708 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3118   -5.1102    5.3931 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4326   -7.1965    1.7408 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6252   -3.4324    2.0499 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1523   -2.4524    3.4137 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4769   -3.0078    4.4033 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5881   -5.1016    0.7394 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5093   -2.6583    0.8283 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9587   -1.7718    2.2733 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7860   -1.2499    2.1006 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2480   -0.4051    2.1140 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0377   -3.3304   -0.0674 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2031   -2.3262   -1.4755 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8313    0.8844    0.2379 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0515    0.1137   -1.3158 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3983   -3.1701   -0.7898 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2444   -2.4681    0.8170 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1335    0.1892    0.9399 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1621    1.0532   -0.5904 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 14  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  3  2  0  0  0  0
  2  4  1  0  0  0  0
  2 22  1  0  0  0  0
  3  6  1  0  0  0  0
  3 23  1  0  0  0  0
  4  7  2  0  0  0  0
  4 24  1  0  0  0  0
  5  9  1  0  0  0  0
  5 25  1  0  0  0  0
  5 26  1  0  0  0  0
  6 15  2  0  0  0  0
  6 27  1  0  0  0  0
  7 15  1  0  0  0  0
  7 28  1  0  0  0  0
  8  5  1  0  0  0  0
  8 29  1  0  0  0  0
  8 30  1  0  0  0  0
  9 16  1  0  0  0  0
  9 31  1  0  0  0  0
  9 32  1  0  0  0  0
 10 12  1  0  0  0  0
 10 33  1  0  0  0  0
 10 34  1  0  0  0  0
 11 13  1  0  0  0  0
 11 35  1  0  0  0  0
 11 36  1  0  0  0  0
 12 17  1  0  0  0  0
 12 37  1  0  0  0  0
 12 38  1  0  0  0  0
 13 17  1  0  0  0  0
 13 39  1  0  0  0  0
 13 40  1  0  0  0  0
 14 17  1  0  0  0  0
 15  8  1  0  0  0  0
 16 10  1  0  0  0  0
 16 11  1  0  0  0  0
 18 14  2  0  0  0  0
M  END
>  <ID>
Z2856434884

>  <Barcode>
0110706253

>  <Well>
G11

>  <Plate_ID>
816280-07

>  <MW>
246.36

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

> <ALATIS_Standard_InChI>
InChI=1S/C15H22N2O/c1-14(18)17-12-10-16(11-13-17)9-5-8-15-6-3-2-4-7-15/h2-4,6-7H,5,8-13H2,1H3

> <ALATIS_Warnings>

> <ALATIS_Errors>

> <ALATIS_Map>
new index	atom name	original index
1	C	11
2	C	18
3	C	16
4	C	17
5	C	12
6	C	15
7	C	14
8	C	13
9	C	9
10	C	7
11	C	8
12	C	5
13	C	4
14	C	2
15	C	10
16	N	3
17	N	1
18	O	6
19	H	30
20	H	31
21	H	29
22	H	40
23	H	38
24	H	39
25	H	32
26	H	33
27	H	37
28	H	36
29	H	34
30	H	35
31	H	27
32	H	28
33	H	23
34	H	24
35	H	25
36	H	26
37	H	21
38	H	22
39	H	19
40	H	20


> <ALATIS_Mixture_Map>

$$$$
