
    alatis_output_mol

 37 38  0  0  0  0  0  0  0  0999 V2000
   -6.3313   -3.8673    3.5297 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0318   -2.7361    4.2878 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3419   -4.4577    2.7416 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7444   -2.1999    4.2669 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0546   -3.9223    2.7178 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3506   -2.2068    3.4507 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4177   -1.9434    0.6687 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8109    0.0562   -0.1804 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1956   -1.1918    2.3066 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2676   -1.3950    2.0903 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8818    0.5699    1.2651 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7431   -2.7933    3.4869 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4336   -0.8225   -0.3797 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6807    0.0664   -0.3642 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8720   -0.5195   -0.0740 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8892   -0.5086    2.2708 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.6649    1.2564   -0.6688 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3340   -4.2857    3.5489 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8027   -2.2741    4.8992 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5792   -5.3362    2.1461 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5255   -1.3151    4.8614 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2968   -4.3930    2.0965 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1279   -1.7294    4.4144 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6392   -3.0336    3.3454 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3203   -2.5605    0.6103 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4179   -2.6220    0.4526 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7104   -0.5225   -0.4228 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8066    0.9078   -0.8708 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4161   -1.6846    1.3527 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9717   -0.4255    2.4422 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1730   -0.8300    2.3508 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2527   -2.2234    2.8036 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0219    1.2207    1.4686 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7605    1.2144    1.3878 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3964   -1.2724   -1.3791 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0166   -1.5154   -0.0224 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6862    0.0809   -0.1164 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1 18  1  0  0  0  0
  2  4  1  0  0  0  0
  2 19  1  0  0  0  0
  3  5  2  0  0  0  0
  3 20  1  0  0  0  0
  4 12  2  0  0  0  0
  4 21  1  0  0  0  0
  5 12  1  0  0  0  0
  5 22  1  0  0  0  0
  6  9  1  0  0  0  0
  6 23  1  0  0  0  0
  6 24  1  0  0  0  0
  7 13  1  0  0  0  0
  7 25  1  0  0  0  0
  7 26  1  0  0  0  0
  8 13  1  0  0  0  0
  8 27  1  0  0  0  0
  8 28  1  0  0  0  0
  9 16  1  0  0  0  0
  9 29  1  0  0  0  0
  9 30  1  0  0  0  0
 10  7  1  0  0  0  0
 10 31  1  0  0  0  0
 10 32  1  0  0  0  0
 11  8  1  0  0  0  0
 11 33  1  0  0  0  0
 11 34  1  0  0  0  0
 12  6  1  0  0  0  0
 13 14  1  0  0  0  0
 13 35  1  0  0  0  0
 15 14  1  0  0  0  0
 15 36  1  0  0  0  0
 15 37  1  0  0  0  0
 16 10  1  0  0  0  0
 16 11  1  0  0  0  0
 17 14  2  0  0  0  0
M  END
>  <ID>
Z2856434897

>  <Barcode>
0110705896

>  <Well>
E08

>  <Plate_ID>
816280-01

>  <MW>
232.33

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

> <ALATIS_Standard_InChI>
InChI=1S/C14H20N2O/c15-14(17)13-7-10-16(11-8-13)9-6-12-4-2-1-3-5-12/h1-5,13H,6-11H2,(H2,15,17)

> <ALATIS_Warnings>

> <ALATIS_Errors>

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


> <ALATIS_Mixture_Map>

$$$$
