
    alatis_output_mol

 33 34  0  0  0  0  0  0  0  0999 V2000
    1.9962    2.1042    0.5668 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9430    3.7578    0.1423 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5034    2.5717    0.6070 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7784    3.7237   -0.6248 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1593   -3.6788    0.1253 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0980   -3.6551   -0.4539 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8904    1.3541    0.3132 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1636    2.5041   -0.9179 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8373   -2.4794    0.3526 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6814   -2.4324   -0.7775 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0812   -0.0363   -0.7412 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7791    1.2176    0.4550 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7006    1.3074   -0.4339 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2574   -1.2283    0.0545 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0421   -1.2079   -0.4913 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1007   -0.1175    0.3133 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3366    1.7096    0.5665 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6478   -0.0171   -0.8137 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9128    1.5955    0.2558 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1048    2.4280    1.6056 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8598    2.9789   -0.0758 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4087    4.7092    0.3832 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4109    2.5928    1.2037 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3379    4.6489   -0.9845 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6180   -4.6276    0.3920 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6286   -4.5811   -0.6601 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3418    0.4360    0.6836 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2454    2.4922   -1.5016 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8288   -2.5373    0.7957 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6496   -2.4609   -1.2703 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4093   -0.7255    0.0485 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4777   -0.3738   -1.7070 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0584   -0.3525    0.5386 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 12  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 10  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 15  1  0  0  0  0
 10 30  1  0  0  0  0
 11 18  1  0  0  0  0
 11 31  1  0  0  0  0
 11 32  1  0  0  0  0
 12 16  1  0  0  0  0
 13 11  1  0  0  0  0
 14 16  1  0  0  0  0
 15 14  2  0  0  0  0
 16 33  1  0  0  0  0
 17 12  2  0  0  0  0
 18 15  1  0  0  0  0
M  END
>  <ID>
Z26365442

>  <Barcode>
0110705948

>  <Well>
A04

>  <Plate_ID>
816280-01

>  <MW>
241.29

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

> <ALATIS_Standard_InChI>
InChI=1S/C15H15NO2/c1-12(17)16-14-9-5-6-10-15(14)18-11-13-7-3-2-4-8-13/h2-10H,11H2,1H3,(H,16,17)

> <ALATIS_Warnings>

> <ALATIS_Errors>

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


> <ALATIS_Mixture_Map>

$$$$
