
    alatis_output_mol

 33 33  0  0  0  0  0  0  0  0999 V2000
   -5.3853    4.6280   -2.3428 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8007   -0.0936    0.0140 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9669   -1.3037   -0.3861 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0193    1.1548    0.3986 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3193   -1.4739    0.4153 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8553    2.9220   -0.0882 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2096    1.4269   -0.4683 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4906   -0.6398   -0.1239 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6474    1.4419   -0.4735 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0720    4.0134   -1.9321 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0651    3.4854   -0.6631 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4258    0.8173    0.0980 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0993    4.0110   -2.6782 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7390    4.1398   -3.2546 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1477    4.5156   -1.5675 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2345    5.6951   -2.5294 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4507   -0.3625    0.8562 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4752    0.1481   -0.8175 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7328   -1.2520   -1.4569 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5909   -2.1974   -0.2614 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7282    1.0999    1.4561 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7002    2.0134    0.3328 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6143   -2.5293    0.3467 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1518   -1.2728    1.4800 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9351    3.0244    0.9992 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0244    3.5480   -0.4231 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3055    2.5151   -0.4764 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0516    1.1317   -1.5127 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6197   -0.8582   -1.1927 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3906   -1.0173    0.3796 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6609    1.3297   -1.5654 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5269    0.8999   -0.0986 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9150    3.4581   -0.1186 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 10  1  0  0  0  0
  1 14  1  0  0  0  0
  1 15  1  0  0  0  0
  1 16  1  0  0  0  0
  2  4  1  0  0  0  0
  2 17  1  0  0  0  0
  2 18  1  0  0  0  0
  3  2  1  0  0  0  0
  3  5  1  0  0  0  0
  3 19  1  0  0  0  0
  3 20  1  0  0  0  0
  4  7  1  0  0  0  0
  4 21  1  0  0  0  0
  4 22  1  0  0  0  0
  5  8  1  0  0  0  0
  5 23  1  0  0  0  0
  5 24  1  0  0  0  0
  6  9  1  0  0  0  0
  6 25  1  0  0  0  0
  6 26  1  0  0  0  0
  7 12  1  0  0  0  0
  7 27  1  0  0  0  0
  7 28  1  0  0  0  0
  8 12  1  0  0  0  0
  8 29  1  0  0  0  0
  8 30  1  0  0  0  0
  9 12  1  0  0  0  0
  9 31  1  0  0  0  0
  9 32  1  0  0  0  0
 10 11  1  0  0  0  0
 11  6  1  0  0  0  0
 11 33  1  0  0  0  0
 13 10  2  0  0  0  0
M  END
>  <ID>
Z169226638

>  <Barcode>
9990531740

>  <Well>
A12

>  <Plate_ID>
816280-06

>  <MW>
184.28

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

> <ALATIS_Standard_InChI>
InChI=1S/C10H20N2O/c1-10(13)11-6-9-12-7-4-2-3-5-8-12/h2-9H2,1H3,(H,11,13)

> <ALATIS_Warnings>

> <ALATIS_Errors>

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


> <ALATIS_Mixture_Map>

$$$$
