
    alatis_output_mol

 34 35  0  0  0  0  0  0  0  0999 V2000
   -5.4146    3.4931    0.3026 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3972   -0.2432    1.4080 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0451    0.9862    1.2950 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0256   -0.3323    1.1707 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8815   -1.2189   -0.7156 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7835    0.1197    1.3303 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2901   -2.4336    0.1356 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1709   -1.1398    2.1174 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9255    2.0505    0.7917 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9715    3.4482    0.7392 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3145    2.1313    0.9577 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2857    0.8125    0.8605 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7239   -0.2814   -0.0257 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1036    0.7506    0.6479 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1092   -0.2612    0.0827 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3202    4.4807    0.8898 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1300   -1.1146   -0.7051 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9930   -2.0105    1.3194 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0346    3.8396    1.1321 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5026    4.1838   -0.5416 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7773    2.5230   -0.0449 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9578   -1.1365    1.6716 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1147    1.0286    1.4800 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5376   -1.3012    1.2532 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7754   -0.6860   -1.0574 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3198   -1.5417   -1.5962 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1571    0.7641    1.9534 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6828    0.6752    1.0455 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4195   -3.0239    0.4266 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9674   -3.0759   -0.4397 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2821   -1.6958    2.4441 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7426   -0.8653    3.0082 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3635    2.9491    0.5445 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5995    1.6292    0.5798 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 10  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 11  1  0  0  0  0
  3 23  1  0  0  0  0
  4 12  2  0  0  0  0
  4 24  1  0  0  0  0
  5 15  1  0  0  0  0
  5 25  1  0  0  0  0
  5 26  1  0  0  0  0
  6 15  1  0  0  0  0
  6 27  1  0  0  0  0
  6 28  1  0  0  0  0
  7  5  1  0  0  0  0
  7 29  1  0  0  0  0
  7 30  1  0  0  0  0
  8  6  1  0  0  0  0
  8 31  1  0  0  0  0
  8 32  1  0  0  0  0
  9 12  1  0  0  0  0
  9 33  1  0  0  0  0
 10 11  1  0  0  0  0
 11  9  2  0  0  0  0
 12 14  1  0  0  0  0
 14 13  1  0  0  0  0
 14 34  1  0  0  0  0
 15 13  1  0  0  0  0
 16 10  2  0  0  0  0
 17 13  2  0  0  0  0
 18  7  1  0  0  0  0
 18  8  1  0  0  0  0
M  END
>  <ID>
Z274555794

>  <Barcode>
9990531984

>  <Well>
D01

>  <Plate_ID>
816280-05

>  <MW>
248.28

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

> <ALATIS_Standard_InChI>
InChI=1S/C13H16N2O3/c1-10(16)11-3-2-4-12(9-11)14-13(17)15-5-7-18-8-6-15/h2-4,9H,5-8H2,1H3,(H,14,17)

> <ALATIS_Warnings>

> <ALATIS_Errors>

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


> <ALATIS_Mixture_Map>

$$$$
