
    alatis_output_mol

 31 31  0  0  0  0  0  0  0  0999 V2000
   -3.4117   -4.4971    0.3920 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3863   -0.3386   -2.8571 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9709   -1.5575   -2.0392 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6819    0.9335   -2.3905 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1438   -1.3079   -0.5436 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8302    1.1534   -0.8823 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1580   -1.5939    0.1600 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3686   -0.0728   -0.0695 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5594   -3.0582    0.2380 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8339   -0.1812   -0.0910 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2879   -1.4212    0.1335 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7749   -3.9987    0.2244 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1139    0.8112   -0.2044 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9180   -3.1608    0.3157 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0583   -4.9836    1.3059 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1191   -5.0715   -0.4927 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5059   -4.4529    0.4264 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1689   -0.5136   -3.9165 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4717   -0.1997   -2.7736 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9270   -1.8080   -2.2583 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5750   -2.4212   -2.3395 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0924    1.7959   -2.9288 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6191    0.8757   -2.6528 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8647   -2.2019    0.0216 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2117   -1.1505   -0.3372 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8855    1.3553   -0.6566 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2756    2.0528   -0.5907 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5378   -1.0681    1.0409 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5781   -1.1540   -0.7503 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6270    0.1048    0.9834 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8514   -2.2630    0.1301 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 14  1  0  0  0  0
  1 15  1  0  0  0  0
  1 16  1  0  0  0  0
  1 17  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2 18  1  0  0  0  0
  2 19  1  0  0  0  0
  3  5  1  0  0  0  0
  3 20  1  0  0  0  0
  3 21  1  0  0  0  0
  4  6  1  0  0  0  0
  4 22  1  0  0  0  0
  4 23  1  0  0  0  0
  5  8  1  0  0  0  0
  5 24  1  0  0  0  0
  5 25  1  0  0  0  0
  6  8  1  0  0  0  0
  6 26  1  0  0  0  0
  6 27  1  0  0  0  0
  7 11  1  0  0  0  0
  7 28  1  0  0  0  0
  7 29  1  0  0  0  0
  8 10  1  0  0  0  0
  8 30  1  0  0  0  0
  9  7  1  0  0  0  0
 11 10  1  0  0  0  0
 11 31  1  0  0  0  0
 12  9  2  0  0  0  0
 13 10  2  0  0  0  0
 14  9  1  0  0  0  0
M  END
>  <ID>
Z18618496

>  <Barcode>
0110706317

>  <Well>
B06

>  <Plate_ID>
816280-07

>  <MW>
199.25

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

> <ALATIS_Standard_InChI>
InChI=1S/C10H17NO3/c1-14-9(12)7-11-10(13)8-5-3-2-4-6-8/h8H,2-7H2,1H3,(H,11,13)

> <ALATIS_Warnings>

> <ALATIS_Errors>

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


> <ALATIS_Mixture_Map>

$$$$
