
    alatis_output_mol

 30 30  0  0  0  0  0  0  0  0999 V2000
    0.0218    2.6146   -2.2750 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1894    1.4164   -2.2961 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5094   -0.0382   -0.1362 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7952   -1.3226    0.2805 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6923    1.2001    0.2386 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3653   -0.0179    0.1928 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4300   -2.5302    0.3840 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7390    1.3442   -1.7869 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6676   -1.3340   -0.1921 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.6774    1.1894   -0.3104 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8232   -3.7403   -0.0483 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4054    3.5087   -1.7717 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1659    2.7499   -3.3532 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0593    2.5615   -2.1160 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2115    1.6150   -3.3738 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7474    2.2168   -1.7977 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7254    0.4744   -2.1483 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7017   -0.0552   -1.2152 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4887    0.0072    0.3541 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8295   -1.4080    1.3743 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3364   -2.1860   -0.1223 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2320    2.1095   -0.0427 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6237    1.2582    1.3339 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4174    0.0538    1.2889 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4145   -0.0320   -0.1199 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4680   -2.5278    0.0337 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4303   -2.5126    1.4792 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2599    0.4940   -2.2852 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6632   -1.4445   -1.2839 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3333   -4.4730    0.3382 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  8  1  0  0  0  0
  1 12  1  0  0  0  0
  1 13  1  0  0  0  0
  1 14  1  0  0  0  0
  2  8  1  0  0  0  0
  2 15  1  0  0  0  0
  2 16  1  0  0  0  0
  2 17  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  3  1  0  0  0  0
  4  9  1  0  0  0  0
  4 20  1  0  0  0  0
  4 21  1  0  0  0  0
  5 10  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  9  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
  9  6  1  0  0  0  0
  9 29  1  0  0  0  0
 11  7  1  0  0  0  0
 11 30  1  0  0  0  0
M  END
>  <ID>
Z103740620

>  <Barcode>
9990531684

>  <Well>
E12

>  <Plate_ID>
816280-06

>  <MW>
157.26

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

> <ALATIS_Standard_InChI>
InChI=1S/C9H19NO/c1-8(2)10-5-3-4-9(6-10)7-11/h8-9,11H,3-7H2,1-2H3/t9-/m0/s1

> <ALATIS_Warnings>

> <ALATIS_Errors>

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


> <ALATIS_Mixture_Map>

$$$$
