
    alatis_output_mol

 29 29  0  0  0  0  0  0  0  0999 V2000
   -3.0448    4.0801    5.4225 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1382   -0.9599   -2.6142 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0255    4.1421    3.9100 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0334    2.0123    4.4182 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0929    3.5046    3.0861 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0999    1.3748    3.5968 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8798    1.4223    2.0264 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3096   -1.2479   -0.4394 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0097    3.4027    4.5740 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1303    2.1153    2.9068 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4337   -0.6568    0.7614 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2425    0.6920    0.9508 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0959   -1.3603    1.5188 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5328   -0.3171   -1.4959 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0433    3.6630    6.4345 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0366    3.9443    4.9788 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8575    5.1559    5.5037 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2520   -0.2285   -3.4183 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5100   -1.7800   -2.9777 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1280   -1.3400   -2.3429 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9770    5.2224    4.0274 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7816    1.4158    4.9354 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6644    4.1048    2.5866 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1304    0.2914    3.4958 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5396    2.1553    1.5480 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5055    0.7647    2.6366 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2722   -1.6250   -0.0777 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2952   -2.0826   -0.8142 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2681    1.1977    0.2328 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  9  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 14  1  0  0  0  0
  2 18  1  0  0  0  0
  2 19  1  0  0  0  0
  2 20  1  0  0  0  0
  3  5  1  0  0  0  0
  3 21  1  0  0  0  0
  4  6  2  0  0  0  0
  4 22  1  0  0  0  0
  5 10  2  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
  7 12  1  0  0  0  0
  7 25  1  0  0  0  0
  7 26  1  0  0  0  0
  8 11  1  0  0  0  0
  8 27  1  0  0  0  0
  8 28  1  0  0  0  0
  9  3  2  0  0  0  0
  9  4  1  0  0  0  0
 10  7  1  0  0  0  0
 12 11  1  0  0  0  0
 12 29  1  0  0  0  0
 13 11  2  0  0  0  0
 14  8  1  0  0  0  0
M  END
>  <ID>
Z33297786

>  <Barcode>
0110706287

>  <Well>
E01

>  <Plate_ID>
816280-07

>  <MW>
193.25

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

> <ALATIS_Standard_InChI>
InChI=1S/C11H15NO2/c1-9-3-5-10(6-4-9)7-12-11(13)8-14-2/h3-6H,7-8H2,1-2H3,(H,12,13)

> <ALATIS_Warnings>

> <ALATIS_Errors>

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


> <ALATIS_Mixture_Map>

$$$$
