
    alatis_output_mol

 38 39  0  0  0  0  0  0  0  0999 V2000
    3.6163   -8.4869    2.4824 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6210   -5.3216    5.3609 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0354   -4.6454    4.2913 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5375   -6.3433    5.1177 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2278   -1.9233    0.0996 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3038   -1.2861    2.0130 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7781   -3.0278   -0.2522 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2373   -2.4095    1.5548 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3211   -5.9831    2.7396 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6713   -4.3018    1.8100 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3753   -4.9726    2.9697 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4227   -0.7637    0.8683 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8742   -6.6911    3.8089 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1865    0.1603   -0.0761 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7607    1.2516    0.5065 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5390   -3.5270    0.9077 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2636    0.0033   -1.2880 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7515   -7.7348    3.6849 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5675   -8.7252    2.2696 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1488   -9.4331    2.6166 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0760   -7.9584    1.6416 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3491   -5.0683    6.3819 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3015   -3.8693    4.4950 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9748   -6.8878    5.9505 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7022   -1.5620   -0.8207 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0397   -2.3426    0.7065 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6588   -1.6526    2.8213 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9063   -0.4850    2.4542 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4879   -2.6553   -1.0018 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2544   -3.8576   -0.7431 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9692   -1.9994    0.8453 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8382   -2.7620    2.4008 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6019   -6.2035    1.7139 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1968   -5.1101    1.2363 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1544   -3.6963    2.1992 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3800   -0.1499    1.2987 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5696    1.5340    1.4570 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2058    1.9176   -0.1123 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 18  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  1  0  0  0  0
  2  4  2  0  0  0  0
  2 22  1  0  0  0  0
  3 11  2  0  0  0  0
  3 23  1  0  0  0  0
  4 13  1  0  0  0  0
  4 24  1  0  0  0  0
  5 12  1  0  0  0  0
  5 25  1  0  0  0  0
  5 26  1  0  0  0  0
  6 12  1  0  0  0  0
  6 27  1  0  0  0  0
  6 28  1  0  0  0  0
  7  5  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  6  1  0  0  0  0
  8 31  1  0  0  0  0
  8 32  1  0  0  0  0
  9 11  1  0  0  0  0
  9 33  1  0  0  0  0
 10 16  1  0  0  0  0
 10 34  1  0  0  0  0
 10 35  1  0  0  0  0
 11 10  1  0  0  0  0
 12 14  1  0  0  0  0
 12 36  1  0  0  0  0
 13  9  2  0  0  0  0
 15 14  1  0  0  0  0
 15 37  1  0  0  0  0
 15 38  1  0  0  0  0
 16  8  1  0  0  0  0
 17 14  2  0  0  0  0
 18 13  1  0  0  0  0
M  END
>  <ID>
Z2856434854

>  <Barcode>
9990529606

>  <Well>
C02

>  <Plate_ID>
816280-04

>  <MW>
248.33

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

> <ALATIS_Standard_InChI>
InChI=1S/C14H20N2O2/c1-18-13-4-2-3-11(9-13)10-16-7-5-12(6-8-16)14(15)17/h2-4,9,12H,5-8,10H2,1H3,(H2,15,17)

> <ALATIS_Warnings>

> <ALATIS_Errors>

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


> <ALATIS_Mixture_Map>

$$$$
