
    alatis_output_mol

 38 39  0  0  0  0  0  0  0  0999 V2000
   -2.5906   -0.3077   -0.0069 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4738   -1.0820   -0.0565 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2971   -5.2255   -3.6274 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7621   -4.8466   -2.2256 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8531   -5.6778   -3.8161 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8123   -5.0947   -1.1031 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9942   -5.9389   -2.5793 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6882   -5.8463   -0.0292 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3688   -5.0624   -0.0050 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1075   -0.2502   -0.0247 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0506   -0.6798   -0.0453 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5687   -5.5777   -1.2397 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1704   -1.3318   -0.0205 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4904   -2.7515    0.0109 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5731   -3.6267    0.0143 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4933    0.9368   -0.0489 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6514   -3.1499    0.0279 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8517    0.6628   -0.0600 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0288    0.6967   -0.0134 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9658   -0.8406   -0.8853 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9452   -0.8181    0.8940 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1311   -0.2075   -0.0708 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6993   -1.6781   -0.9447 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7176   -1.6636    0.8372 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4786   -4.3701   -4.2931 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9604   -6.0113   -4.0129 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6910   -5.3916   -2.0122 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0325   -3.7836   -2.2137 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3385   -4.9351   -4.4406 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8559   -6.5890   -4.4305 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2024   -4.8768   -0.1103 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0526   -5.3943   -2.7198 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7264   -7.0031   -2.5609 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2414   -5.6206    0.8923 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4632   -6.9192    0.0045 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2616   -5.3108   -0.8648 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1991   -5.3268    0.8947 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5150   -3.2943   -0.0931 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 10  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  4  1  0  0  0  0
  3  5  1  0  0  0  0
  3 25  1  0  0  0  0
  3 26  1  0  0  0  0
  4  6  1  0  0  0  0
  4 27  1  0  0  0  0
  4 28  1  0  0  0  0
  5  7  1  0  0  0  0
  5 29  1  0  0  0  0
  5 30  1  0  0  0  0
  6 12  2  0  0  0  0
  6 31  1  0  0  0  0
  7 12  1  0  0  0  0
  7 32  1  0  0  0  0
  7 33  1  0  0  0  0
  8  9  1  0  0  0  0
  8 34  1  0  0  0  0
  8 35  1  0  0  0  0
  9 15  1  0  0  0  0
  9 36  1  0  0  0  0
  9 37  1  0  0  0  0
 10 13  1  0  0  0  0
 11 13  2  0  0  0  0
 12  8  1  0  0  0  0
 14 13  1  0  0  0  0
 15 14  1  0  0  0  0
 15 38  1  0  0  0  0
 16 10  2  0  0  0  0
 17 14  2  0  0  0  0
 18 11  1  0  0  0  0
 18 16  1  0  0  0  0
M  END
>  <ID>
Z69092635

>  <Barcode>
9990529537

>  <Well>
H02

>  <Plate_ID>
816280-04

>  <MW>
248.33

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

> <ALATIS_Standard_InChI>
InChI=1S/C14H20N2O2/c1-10-13(11(2)18-16-10)14(17)15-9-8-12-6-4-3-5-7-12/h6H,3-5,7-9H2,1-2H3,(H,15,17)

> <ALATIS_Warnings>

> <ALATIS_Errors>

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


> <ALATIS_Mixture_Map>

$$$$
