
    alatis_output_mol

 29 29  0  0  0  0  0  0  0  0999 V2000
   -0.4244    3.0770    0.5747 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7080   -3.0451    1.0713 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8900   -1.5611    1.3767 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2404   -3.4347    0.9103 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0342   -1.1308    2.5655 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3774   -2.9436    2.0740 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8838   -0.5940    1.2347 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9666    0.9167    1.4805 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5425   -1.4374    2.3513 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3082    1.6359    0.3872 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4717    3.3970    0.5962 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0663    3.5938   -0.2556 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0666    3.3962    1.4996 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2606   -3.3047    0.1621 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1473   -3.6337    1.8877 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6345   -0.9663    0.4924 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9448   -1.3595    1.5935 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1614   -4.5255    0.8341 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8570   -3.0305   -0.0334 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1959   -0.0694    2.7780 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3795   -1.6664    3.4592 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6587   -3.5008    2.9773 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3256   -3.1822    1.8791 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3341   -0.8246    0.2621 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1734   -0.8838    1.1583 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0131    1.2322    1.5351 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4826    1.1567    2.4343 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0150   -1.2108    3.2874 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7476    1.3792   -0.4975 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 10  1  0  0  0  0
  1 11  1  0  0  0  0
  1 12  1  0  0  0  0
  1 13  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2 14  1  0  0  0  0
  2 15  1  0  0  0  0
  3  5  1  0  0  0  0
  3 16  1  0  0  0  0
  3 17  1  0  0  0  0
  4  6  1  0  0  0  0
  4 18  1  0  0  0  0
  4 19  1  0  0  0  0
  5  9  1  0  0  0  0
  5 20  1  0  0  0  0
  5 21  1  0  0  0  0
  6  9  1  0  0  0  0
  6 22  1  0  0  0  0
  6 23  1  0  0  0  0
  7  8  1  0  0  0  0
  7 24  1  0  0  0  0
  7 25  1  0  0  0  0
  8 10  1  0  0  0  0
  8 26  1  0  0  0  0
  8 27  1  0  0  0  0
  9  7  1  0  0  0  0
  9 28  1  0  0  0  0
 10 29  1  0  0  0  0
M  END
>  <ID>
Z2856434901

>  <Barcode>
9990531659

>  <Well>
H12

>  <Plate_ID>
816280-06

>  <MW>
141.26

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

> <ALATIS_Standard_InChI>
InChI=1S/C9H19N/c1-10-8-7-9-5-3-2-4-6-9/h9-10H,2-8H2,1H3

> <ALATIS_Warnings>

> <ALATIS_Errors>

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


> <ALATIS_Mixture_Map>

$$$$
