
    alatis_output_mol

 29 29  0  0  0  0  0  0  0  0999 V2000
    3.2260    0.2987   -4.9602 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7869    0.2253   -3.5512 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7978   -1.3028    0.2736 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4766   -0.0193   -0.1916 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6661   -1.3399   -0.1535 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6610    1.2199    0.1959 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3898   -0.0522    0.2466 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8269    1.3529   -1.7084 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2469    1.4638   -2.2449 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7451    1.1752   -0.2443 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8623    2.5138   -2.3935 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6799    0.2308   -2.6421 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0220    0.2601   -5.7071 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6507    1.2203   -5.1014 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5323   -0.5317   -5.1358 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3253   -0.7172   -3.4109 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4922    1.0402   -3.3536 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3273   -2.1758   -0.1243 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8568   -1.3642    1.3671 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6229   -0.0531   -1.2792 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4771    0.0468    0.2504 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1610   -2.1990    0.3141 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7319   -1.4926   -1.2370 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1511    2.1194   -0.1965 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6796    1.3307    1.2876 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4279    0.0004    1.3434 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4389   -0.0980   -0.0649 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3114    0.5639   -2.2683 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3335    2.2912   -1.9934 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  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 12  1  0  0  0  0
  2 16  1  0  0  0  0
  2 17  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  3 18  1  0  0  0  0
  3 19  1  0  0  0  0
  4  6  1  0  0  0  0
  4 20  1  0  0  0  0
  4 21  1  0  0  0  0
  5  7  1  0  0  0  0
  5 22  1  0  0  0  0
  5 23  1  0  0  0  0
  6 10  1  0  0  0  0
  6 24  1  0  0  0  0
  6 25  1  0  0  0  0
  7 10  1  0  0  0  0
  7 26  1  0  0  0  0
  7 27  1  0  0  0  0
  8 10  1  0  0  0  0
  8 28  1  0  0  0  0
  8 29  1  0  0  0  0
  9  8  1  0  0  0  0
 11  9  2  0  0  0  0
 12  9  1  0  0  0  0
M  END
>  <ID>
Z2856434773

>  <Barcode>
0110705873

>  <Well>
G07

>  <Plate_ID>
816280-01

>  <MW>
171.24

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

> <ALATIS_Standard_InChI>
InChI=1S/C9H17NO2/c1-2-12-9(11)8-10-6-4-3-5-7-10/h2-8H2,1H3

> <ALATIS_Warnings>

> <ALATIS_Errors>

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


> <ALATIS_Mixture_Map>

$$$$
