
    alatis_output_mol

 38 39  0  0  0  0  0  0  0  0999 V2000
   -2.9594    7.4819   -5.2728 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6922   -1.4904    1.7527 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3123    6.3283   -3.1222 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7129    5.2984   -5.2163 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6927    5.2820   -2.4291 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1019    4.2481   -4.5216 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3321   -0.1521   -0.1802 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8543   -1.1822   -0.1049 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7277    1.2206    0.1746 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5065    0.1834    0.2030 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3508    3.5073   -1.4144 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3232    6.3490   -4.5198 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0706    4.2487   -3.1283 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2303    2.3152   -1.0141 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5611   -1.3138    0.3088 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6717    1.3009   -0.2494 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4181    2.2918   -1.3545 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4745    3.1690   -2.5275 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6959    7.1012   -5.9877 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4777    8.1717   -4.5983 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1943    8.0491   -5.8129 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2577   -0.6699    2.3321 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2075   -2.4221    2.0650 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7478   -1.5823    2.0327 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7952    7.1232   -2.5580 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7112    5.2905   -6.3040 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7318    5.2867   -1.3453 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6337    3.4391   -5.0755 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3891   -0.2285   -1.2743 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3673   -0.2059    0.1776 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8946   -1.3434   -1.1900 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4541   -1.9878    0.3369 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3349    2.0042   -0.2797 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7459    1.3821    1.2589 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6455    0.3023    1.2845 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5005    0.2198   -0.2541 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0255    4.3350   -1.6713 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2431    3.8144   -0.5482 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 15  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  1  0  0  0  0
  3 25  1  0  0  0  0
  4  6  2  0  0  0  0
  4 26  1  0  0  0  0
  5 13  2  0  0  0  0
  5 27  1  0  0  0  0
  6 13  1  0  0  0  0
  6 28  1  0  0  0  0
  7  9  1  0  0  0  0
  7 15  1  0  0  0  0
  7 29  1  0  0  0  0
  7 30  1  0  0  0  0
  8 10  1  0  0  0  0
  8 31  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 14  1  0  0  0  0
 11 37  1  0  0  0  0
 11 38  1  0  0  0  0
 12  3  2  0  0  0  0
 12  4  1  0  0  0  0
 13 18  1  0  0  0  0
 14 16  1  0  0  0  0
 15  8  1  0  0  0  0
 17 14  2  0  0  0  0
 18 11  1  0  0  0  0
M  END
>  <ID>
Z2856434836

>  <Barcode>
0110706322

>  <Well>
B11

>  <Plate_ID>
816280-07

>  <MW>
248.33

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

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

> <ALATIS_Warnings>

> <ALATIS_Errors>

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


> <ALATIS_Mixture_Map>

$$$$
