
    alatis_output_mol

 32 33  0  0  0  0  0  0  0  0999 V2000
   -0.9090    5.8001   -8.1150 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3827    4.5627   -7.7520 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3179    6.6981   -7.1295 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2702    4.2213   -6.4039 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2064    6.3583   -5.7795 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4589    0.4422   -1.9782 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4276    2.2715   -0.6669 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9813    1.3584   -2.8953 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0965    3.1851   -1.5880 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5406    4.7361   -3.9481 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6879    5.1122   -5.4028 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2541    0.8951   -0.8617 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7724    2.7264   -2.7198 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8534   -0.1136    0.0552 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7240   -0.5716    2.2645 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0333    0.2800    1.3765 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1575   -1.2298   -0.3538 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2732    3.5309   -3.7055 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0013    6.0649   -9.1647 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0620    3.8615   -8.5177 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7261    7.6645   -7.4141 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1412    3.2511   -6.1318 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5295    7.0730   -5.0265 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5976   -0.6238   -2.1465 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0038    2.6574    0.1697 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5289    1.0014   -3.7644 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0458    4.2464   -1.4083 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5324    4.6206   -3.7453 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9421    5.5245   -3.3011 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1148   -1.3363    1.6937 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0350   -1.0396    2.8592 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7115    1.1831    1.7148 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1 19  1  0  0  0  0
  2  4  1  0  0  0  0
  2 20  1  0  0  0  0
  3  5  2  0  0  0  0
  3 21  1  0  0  0  0
  4 11  2  0  0  0  0
  4 22  1  0  0  0  0
  5 11  1  0  0  0  0
  5 23  1  0  0  0  0
  6 12  1  0  0  0  0
  6 24  1  0  0  0  0
  7 12  2  0  0  0  0
  7 25  1  0  0  0  0
  8  6  2  0  0  0  0
  8 26  1  0  0  0  0
  9  7  1  0  0  0  0
  9 27  1  0  0  0  0
 10 18  1  0  0  0  0
 10 28  1  0  0  0  0
 10 29  1  0  0  0  0
 11 10  1  0  0  0  0
 12 14  1  0  0  0  0
 13  8  1  0  0  0  0
 13  9  2  0  0  0  0
 15 16  1  0  0  0  0
 15 30  1  0  0  0  0
 15 31  1  0  0  0  0
 16 14  1  0  0  0  0
 16 32  1  0  0  0  0
 17 14  2  0  0  0  0
 18 13  1  0  0  0  0
M  END
>  <ID>
Z58982727

>  <Barcode>
9990531968

>  <Well>
F09

>  <Plate_ID>
816280-05

>  <MW>
242.28

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

> <ALATIS_Standard_InChI>
InChI=1S/C14H14N2O2/c15-16-14(17)12-6-8-13(9-7-12)18-10-11-4-2-1-3-5-11/h1-9H,10,15H2,(H,16,17)

> <ALATIS_Warnings>

> <ALATIS_Errors>

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


> <ALATIS_Mixture_Map>

$$$$
