
    alatis_output_mol

 35 37  0  0  0  0  0  0  0  0999 V2000
    0.3888    0.8004    4.3669 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0843    2.1370    3.8037 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7153   -0.3014    3.3568 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6043    2.5494    2.5107 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2793    0.7410   -1.8878 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5164    1.5578   -2.9985 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2441   -0.3748    2.1737 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0734    1.9588    1.2772 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0231    1.5476   -1.7510 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2439    3.8765   -4.3597 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0268    0.7680   -1.2367 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4929    2.3854   -3.4158 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2595    2.3747   -2.8106 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8384   -0.0377   -0.0028 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1491    0.5214    1.0841 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2928   -1.1799    0.0015 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5618    3.2908   -4.4280 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5971    3.2826   -3.3504 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2830    0.9721    4.9795 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3806    0.4363    5.0594 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1715    2.1122    3.6554 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0935    2.9086    4.5628 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7447   -0.1770    2.9980 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6926   -1.2566    3.8954 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5381    3.6417    2.4272 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6713    2.2991    2.5295 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0691    0.0921   -1.5131 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4775    1.5574   -3.5013 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2562   -1.4052    1.7990 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2743   -0.1419    2.4662 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1572    2.1231    1.3026 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3211    2.5289    0.4366 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0066    1.5431   -1.2986 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3462    4.9483   -4.1492 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2480    3.7531   -5.3301 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1 19  1  0  0  0  0
  1 20  1  0  0  0  0
  2  4  1  0  0  0  0
  2 21  1  0  0  0  0
  2 22  1  0  0  0  0
  3  7  1  0  0  0  0
  3 23  1  0  0  0  0
  3 24  1  0  0  0  0
  4  8  1  0  0  0  0
  4 25  1  0  0  0  0
  4 26  1  0  0  0  0
  5 11  1  0  0  0  0
  5 27  1  0  0  0  0
  6  5  2  0  0  0  0
  6 28  1  0  0  0  0
  7 15  1  0  0  0  0
  7 29  1  0  0  0  0
  7 30  1  0  0  0  0
  8 15  1  0  0  0  0
  8 31  1  0  0  0  0
  8 32  1  0  0  0  0
  9 11  2  0  0  0  0
  9 33  1  0  0  0  0
 10 17  1  0  0  0  0
 10 18  1  0  0  0  0
 10 34  1  0  0  0  0
 10 35  1  0  0  0  0
 11 14  1  0  0  0  0
 12  6  1  0  0  0  0
 12 13  2  0  0  0  0
 13  9  1  0  0  0  0
 15 14  1  0  0  0  0
 16 14  2  0  0  0  0
 17 12  1  0  0  0  0
 18 13  1  0  0  0  0
M  END
>  <ID>
Z31432226

>  <Barcode>
9990531666

>  <Well>
G06

>  <Plate_ID>
816280-06

>  <MW>
247.30

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

> <ALATIS_Standard_InChI>
InChI=1S/C14H17NO3/c16-14(15-7-3-1-2-4-8-15)11-5-6-12-13(9-11)18-10-17-12/h5-6,9H,1-4,7-8,10H2

> <ALATIS_Warnings>

> <ALATIS_Errors>

> <ALATIS_Map>
new index	atom name	original index
1	C	17
2	C	18
3	C	16
4	C	15
5	C	11
6	C	12
7	C	13
8	C	14
9	C	5
10	C	9
11	C	3
12	C	6
13	C	4
14	C	1
15	N	2
16	O	10
17	O	8
18	O	7
19	H	32
20	H	33
21	H	34
22	H	35
23	H	30
24	H	31
25	H	28
26	H	29
27	H	22
28	H	23
29	H	24
30	H	25
31	H	26
32	H	27
33	H	19
34	H	20
35	H	21


> <ALATIS_Mixture_Map>

$$$$
