
    alatis_output_mol

 33 34  0  0  0  0  0  0  0  0999 V2000
    0.4605   -3.2411   -1.6029 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1035   -3.4940   -0.2167 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1680   -1.9072   -1.4657 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4409   -2.1168    0.3540 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1889    3.9242    3.0358 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4886    3.4510    2.5200 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1894    2.7205    2.4136 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1090    2.2511    1.9096 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5315    4.3185    3.0530 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2811   -1.0849   -0.5210 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7640    1.8948    1.8024 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0114    5.6416    3.5515 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0915   -0.0733    0.2924 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1017    6.5267    4.0556 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3064    0.7737    1.0656 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.1932    5.9608    3.4856 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3127   -0.0332    0.2068 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1461   -4.0349   -1.9168 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3446   -3.1746   -2.3425 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9787   -4.1506   -0.2500 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6510   -3.9802    0.4127 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1701   -2.0708   -1.0524 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2930   -1.4129   -2.4351 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5232   -1.9473    0.3100 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1493   -2.0617    1.4082 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5893    4.5420    3.4699 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5452    3.7149    2.5434 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2449    2.4603    2.3901 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9043    1.6365    1.5013 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4551   -0.5307   -1.1176 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1110    6.3716    4.1316 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4629    7.4365    4.3160 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6967    0.6475    1.0148 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 18  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
  2 21  1  0  0  0  0
  3 10  1  0  0  0  0
  3 22  1  0  0  0  0
  3 23  1  0  0  0  0
  4 10  1  0  0  0  0
  4 24  1  0  0  0  0
  4 25  1  0  0  0  0
  5  7  2  0  0  0  0
  5  9  1  0  0  0  0
  5 26  1  0  0  0  0
  6  8  1  0  0  0  0
  6 27  1  0  0  0  0
  7 11  1  0  0  0  0
  7 28  1  0  0  0  0
  8 11  2  0  0  0  0
  8 29  1  0  0  0  0
  9  6  2  0  0  0  0
 10 13  1  0  0  0  0
 10 30  1  0  0  0  0
 11 15  1  0  0  0  0
 12  9  1  0  0  0  0
 14 12  1  0  0  0  0
 14 31  1  0  0  0  0
 14 32  1  0  0  0  0
 15 13  1  0  0  0  0
 15 33  1  0  0  0  0
 16 12  2  0  0  0  0
 17 13  2  0  0  0  0
M  END
>  <ID>
Z30242133

>  <Barcode>
0110705927

>  <Well>
C01

>  <Plate_ID>
816280-01

>  <MW>
232.28

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

> <ALATIS_Standard_InChI>
InChI=1S/C13H16N2O2/c14-12(16)9-5-7-11(8-6-9)15-13(17)10-3-1-2-4-10/h5-8,10H,1-4H2,(H2,14,16)(H,15,17)

> <ALATIS_Warnings>

> <ALATIS_Errors>

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


> <ALATIS_Mixture_Map>

$$$$
