
    alatis_output_mol

 24 24  0  0  0  0  0  0  0  0999 V2000
    0.3326    1.8960    2.2554 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1850    2.2965    0.6238 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0433    3.3384    0.2464 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1139    0.5698   -0.1633 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6573   -0.4055    0.3406 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6505   -0.9014   -0.3315 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6647    2.0640    0.7572 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3189    0.9517   -0.1545 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5329   -1.3927   -1.6882 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6164    2.7970    2.8135 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7355    1.7395    2.4305 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8820    1.0683    2.7143 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4738    2.4762   -0.4190 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5021    3.1717    1.2033 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7595    1.4368    0.9871 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2655    4.2187    0.8224 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1942    3.5366   -0.8056 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1331    3.2601    0.3353 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6787    0.9760   -1.0082 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6846    0.7418    0.7543 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6577   -0.5718    1.4217 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5806   -0.8190   -0.0759 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2205   -1.6173    0.2694 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0125   -0.6963   -2.1325 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  1  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
  2  7  1  0  0  0  0
  2 13  1  0  0  0  0
  2 14  1  0  0  0  0
  2 15  1  0  0  0  0
  3  7  1  0  0  0  0
  3 16  1  0  0  0  0
  3 17  1  0  0  0  0
  3 18  1  0  0  0  0
  4  8  1  0  0  0  0
  4 19  1  0  0  0  0
  4 20  1  0  0  0  0
  5  8  1  0  0  0  0
  5 21  1  0  0  0  0
  5 22  1  0  0  0  0
  6  4  1  0  0  0  0
  6  5  1  0  0  0  0
  6 23  1  0  0  0  0
  7  8  1  0  0  0  0
  9  6  1  0  0  0  0
  9 24  1  0  0  0  0
M  END
>  <ID>
Z2856434900

>  <Barcode>
9990531675

>  <Well>
F04

>  <Plate_ID>
816280-06

>  <MW>
129.20

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

> <ALATIS_Standard_InChI>
InChI=1S/C7H15NO/c1-7(2,3)8-4-6(9)5-8/h6,9H,4-5H2,1-3H3

> <ALATIS_Warnings>

> <ALATIS_Errors>

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


> <ALATIS_Mixture_Map>

$$$$
