
    alatis_output_mol

 38 39  0  0  0  0  0  0  0  0999 V2000
   -5.8211    0.3228   -0.9037 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4047    0.5749    1.5352 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3751   -0.1702    0.9375 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3052    2.2237    0.7229 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9824   -0.1964    1.0765 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9142    2.1965    0.8623 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4057    2.5788    0.5905 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6811    0.4066   -0.2813 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8263    2.9664   -0.8327 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1272    0.8740   -1.6754 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5317    1.0862    0.3905 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0496    1.0385    0.7169 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2383    0.9851    1.0056 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0794    1.9068    1.0081 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1684    0.8778    0.9905 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3504    1.5605    0.5653 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8248    3.0495    1.3794 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2163    1.8043   -1.5833 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2288    0.7249   -1.7362 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5833   -0.7433   -0.8158 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8787    0.4051   -1.1780 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2290    1.1523    2.4490 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2128   -0.4792    1.7596 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4655    0.6729    1.2774 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9230   -1.1097    0.9621 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7932    3.1853    0.5789 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4921   -1.1576    1.2054 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3838    3.1425    0.8151 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2557    2.1292    1.1143 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1000    3.4708    1.1472 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8457   -0.2875   -0.3884 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5066   -0.1157    0.2155 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6855    3.6428   -0.7972 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0153    3.4775   -1.3650 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4697    0.0176   -2.2641 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3006    1.3474   -2.2186 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8161    2.1328    0.2144 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5492   -0.0473    1.1029 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 11  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 11  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  5  2  0  0  0  0
  3 12  1  0  0  0  0
  3 25  1  0  0  0  0
  4  6  1  0  0  0  0
  4 26  1  0  0  0  0
  5 13  1  0  0  0  0
  5 27  1  0  0  0  0
  6 13  2  0  0  0  0
  6 28  1  0  0  0  0
  7 16  1  0  0  0  0
  7 29  1  0  0  0  0
  7 30  1  0  0  0  0
  8 16  1  0  0  0  0
  8 31  1  0  0  0  0
  8 32  1  0  0  0  0
  9  7  1  0  0  0  0
  9 33  1  0  0  0  0
  9 34  1  0  0  0  0
 10  8  1  0  0  0  0
 10 35  1  0  0  0  0
 10 36  1  0  0  0  0
 11 12  1  0  0  0  0
 11 37  1  0  0  0  0
 12  4  2  0  0  0  0
 13 15  1  0  0  0  0
 15 14  1  0  0  0  0
 15 38  1  0  0  0  0
 16 14  1  0  0  0  0
 17 14  2  0  0  0  0
 18  9  1  0  0  0  0
 18 10  1  0  0  0  0
M  END
>  <ID>
Z208334100

>  <Barcode>
0110706000

>  <Well>
D01

>  <Plate_ID>
816280-03

>  <MW>
248.33

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

> <ALATIS_Standard_InChI>
InChI=1S/C14H20N2O2/c1-11(2)12-3-5-13(6-4-12)15-14(17)16-7-9-18-10-8-16/h3-6,11H,7-10H2,1-2H3,(H,15,17)

> <ALATIS_Warnings>

> <ALATIS_Errors>

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


> <ALATIS_Mixture_Map>

$$$$
