
    alatis_output_mol

 30 30  0  0  0  0  0  0  0  0999 V2000
    1.6249    0.0937    1.8320 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6000    2.8016   -0.5993 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7388   -1.2275    0.1814 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4311    0.0478   -0.2968 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7495   -1.2114   -0.1732 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6992    1.3008    0.1810 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4559    0.0664    0.3103 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.6703    2.0961   -1.5778 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.2002    2.1883   -1.0891 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7897    2.7398   -2.9096 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7215    1.2482   -0.1813 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4844    3.1028   -1.5171 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1492    1.0035    2.1431 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6697    0.0687    2.3647 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2118   -0.7677    2.1676 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5276    2.3684    0.4028 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6428    2.7276   -0.9259 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3501    3.8659   -0.5101 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8639   -1.3324    1.2650 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2167   -2.1007   -0.2762 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4659    0.0440   -1.3934 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4679    0.0630    0.0585 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2394   -2.0994    0.2408 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8456   -1.2766   -1.2652 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1896    2.1840   -0.2399 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7693    1.3953    1.2697 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4658    0.0502   -0.1001 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9676    1.0559   -1.7204 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4281    3.6940   -2.8082 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1068    2.2988   -3.5272 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  1  0  0  0  0
  1 13  1  0  0  0  0
  1 14  1  0  0  0  0
  1 15  1  0  0  0  0
  2  8  1  0  0  0  0
  2 16  1  0  0  0  0
  2 17  1  0  0  0  0
  2 18  1  0  0  0  0
  3  4  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  6  1  0  0  0  0
  4 21  1  0  0  0  0
  4 22  1  0  0  0  0
  5  7  1  0  0  0  0
  5 23  1  0  0  0  0
  5 24  1  0  0  0  0
  6 11  1  0  0  0  0
  6 25  1  0  0  0  0
  6 26  1  0  0  0  0
  7 11  1  0  0  0  0
  7 27  1  0  0  0  0
  8  9  1  0  0  0  0
  8 28  1  0  0  0  0
  9 11  1  0  0  0  0
 10  8  1  0  0  0  0
 10 29  1  0  0  0  0
 10 30  1  0  0  0  0
 12  9  2  0  0  0  0
M  END
>  <ID>
Z927412236

>  <Barcode>
9990531648

>  <Well>
H01

>  <Plate_ID>
816280-06

>  <MW>
170.26

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

> <ALATIS_Standard_InChI>
InChI=1S/C9H18N2O/c1-7-5-3-4-6-11(7)9(12)8(2)10/h7-8H,3-6,10H2,1-2H3/t7-,8-/m0/s1

> <ALATIS_Warnings>

> <ALATIS_Errors>

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


> <ALATIS_Mixture_Map>

$$$$
