
    alatis_output_mol

 34 35  0  0  0  0  0  0  0  0999 V2000
    0.8990   -2.5171   -0.3623 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2490    3.7672    1.2465 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9098    3.6082    0.4901 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9156    2.6468    1.7341 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5156    0.4850   -1.7137 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0933   -0.3297   -0.7485 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3603    2.3249    0.1639 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4333    1.3663    1.4533 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1288    0.5313   -1.8318 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8474   -0.2324   -1.1080 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2549   -1.0626    0.0703 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1705   -1.2007   -0.1318 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6622    1.1883    0.6035 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3554   -0.2458   -0.9760 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1672   -0.1513    0.1807 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9077   -1.0363   -0.0197 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3007   -1.2032   -0.1591 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3926   -0.2712    0.1095 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4358   -2.9941   -1.2317 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7028   -3.1204    0.5303 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9775   -2.4704   -0.5250 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6204    4.7628    1.4763 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4617    4.4816    0.1515 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8093    2.7640    2.3422 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1422    1.0770   -2.3739 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1694   -0.3953   -0.6384 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2655    2.2138   -0.4310 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9316    0.5249    1.9162 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6650    1.1658   -2.5791 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5809   -0.5185   -2.1327 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5047    0.7959   -0.9681 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6538   -1.7086    0.8466 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4927   -1.0632    0.9023 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5073   -2.2146   -0.3900 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 17  1  0  0  0  0
  1 19  1  0  0  0  0
  1 20  1  0  0  0  0
  1 21  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  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
  4  8  2  0  0  0  0
  4 24  1  0  0  0  0
  5  9  2  0  0  0  0
  5 25  1  0  0  0  0
  6  5  1  0  0  0  0
  6 11  2  0  0  0  0
  6 26  1  0  0  0  0
  7 13  2  0  0  0  0
  7 27  1  0  0  0  0
  8 13  1  0  0  0  0
  8 28  1  0  0  0  0
  9 14  1  0  0  0  0
  9 29  1  0  0  0  0
 10 12  1  0  0  0  0
 10 30  1  0  0  0  0
 10 31  1  0  0  0  0
 11 16  1  0  0  0  0
 11 32  1  0  0  0  0
 12 17  1  0  0  0  0
 12 33  1  0  0  0  0
 12 34  1  0  0  0  0
 13 15  1  0  0  0  0
 14 10  1  0  0  0  0
 16 14  2  0  0  0  0
 17 15  1  0  0  0  0
 18 15  2  0  0  0  0
M  END
>  <ID>
Z68277692

>  <Barcode>
0110706300

>  <Well>
C12

>  <Plate_ID>
816280-07

>  <MW>
240.31

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

> <ALATIS_Standard_InChI>
InChI=1S/C15H16N2O/c1-17(12-10-14-9-5-6-11-16-14)15(18)13-7-3-2-4-8-13/h2-9,11H,10,12H2,1H3

> <ALATIS_Warnings>

> <ALATIS_Errors>

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


> <ALATIS_Mixture_Map>

$$$$
