
    alatis_output_mol

 31 31  0  0  0  0  0  0  0  0999 V2000
   -1.6285    0.2760   -1.5214 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7098   -2.2162   -1.7679 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1134    0.0913   -1.3948 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9900    0.9352    0.9372 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8770    1.5189   -1.8658 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8024    2.3339    0.3553 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3878   -1.1591   -0.8700 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4677   -0.1501   -0.0208 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1593   -1.0588   -0.9313 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9904   -0.1075   -0.0305 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6941   -1.1915    0.3912 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4260    2.4435   -0.9251 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7234    0.3146   -1.5680 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3219    1.1220   -0.8963 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2336    0.4303   -2.5308 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4228   -3.1817   -1.3357 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3431   -2.1768   -2.7993 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8053   -2.1991   -1.7886 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7728   -0.6249   -2.1476 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1952   -0.0678   -1.2916 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0624    0.7637    1.0925 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5115    0.8641    1.9210 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8126    1.7326   -2.0176 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3833    1.6807   -2.8221 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7433    2.6017    0.2694 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2735    3.0721    1.0126 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7618   -1.0991   -1.8961 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6718   -2.1349   -0.4563 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7850   -1.1287    0.3607 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6652   -0.2582    0.9264 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5012   -0.3571    0.8526 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  9  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  9  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  8  1  0  0  0  0
  3 19  1  0  0  0  0
  3 20  1  0  0  0  0
  4  8  1  0  0  0  0
  4 21  1  0  0  0  0
  4 22  1  0  0  0  0
  5  3  1  0  0  0  0
  5 23  1  0  0  0  0
  5 24  1  0  0  0  0
  6  4  1  0  0  0  0
  6 25  1  0  0  0  0
  6 26  1  0  0  0  0
  7 10  1  0  0  0  0
  7 27  1  0  0  0  0
  7 28  1  0  0  0  0
  8 10  1  0  0  0  0
  8 29  1  0  0  0  0
  9  7  1  0  0  0  0
 10 30  1  0  0  0  0
 11  9  1  0  0  0  0
 11 31  1  0  0  0  0
 12  5  1  0  0  0  0
 12  6  1  0  0  0  0
M  END
>  <ID>
Z1103351268

>  <Barcode>
0110706241

>  <Well>
H02

>  <Plate_ID>
816280-07

>  <MW>
173.26

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

> <ALATIS_Standard_InChI>
InChI=1S/C9H19NO2/c1-9(2,11)7-10-8-3-5-12-6-4-8/h8,10-11H,3-7H2,1-2H3

> <ALATIS_Warnings>

> <ALATIS_Errors>

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


> <ALATIS_Mixture_Map>

$$$$
