
    alatis_output_mol

 34 35  0  0  0  0  0  0  0  0999 V2000
    0.9413    5.4276    0.8163 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8102    2.8814   -4.0358 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6834    1.4952   -4.0889 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4338   -2.7145    2.1197 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5531   -1.6873    2.2656 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4155    3.5776   -2.8933 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1794    0.7948   -2.9899 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7714   -1.8815    1.7314 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1672   -0.5456    1.3278 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8819    2.8841   -1.7960 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7735    1.4814   -1.8395 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4790    3.6080   -0.5624 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8704   -0.3072   -0.1664 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2323    0.7714   -0.7404 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2005   -0.8291    0.9189 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3384    3.1700    0.2356 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9502   -0.7508   -0.5442 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1944    4.7502   -0.4167 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2458    4.8064    1.6658 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5348    6.3436    0.8263 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1168    5.6966    0.8921 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2158    3.4216   -4.8908 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9806    0.9532   -4.9842 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2689   -3.2951    3.0318 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6772   -3.4120    1.3095 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5284   -2.1126    2.0073 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6113   -1.3276    3.2987 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5326    4.6578   -2.8652 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0864   -0.2878   -3.0465 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2206   -1.4069    2.6108 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5412   -2.4529    1.2046 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8191   -0.4865    0.4512 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1872    0.4160    1.8525 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2391    1.3517   -0.0490 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 18  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  6  2  0  0  0  0
  2 22  1  0  0  0  0
  3  2  1  0  0  0  0
  3  7  2  0  0  0  0
  3 23  1  0  0  0  0
  4  5  1  0  0  0  0
  4  8  1  0  0  0  0
  4 24  1  0  0  0  0
  4 25  1  0  0  0  0
  5  9  1  0  0  0  0
  5 26  1  0  0  0  0
  5 27  1  0  0  0  0
  6 10  1  0  0  0  0
  6 28  1  0  0  0  0
  7 11  1  0  0  0  0
  7 29  1  0  0  0  0
  8 15  1  0  0  0  0
  8 30  1  0  0  0  0
  8 31  1  0  0  0  0
  9 15  1  0  0  0  0
  9 32  1  0  0  0  0
  9 33  1  0  0  0  0
 10 11  2  0  0  0  0
 11 14  1  0  0  0  0
 12 10  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 12  2  0  0  0  0
 17 13  2  0  0  0  0
 18 12  1  0  0  0  0
M  END
>  <ID>
Z281077318

>  <Barcode>
0110705918

>  <Well>
C10

>  <Plate_ID>
816280-01

>  <MW>
248.28

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

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

> <ALATIS_Warnings>

> <ALATIS_Errors>

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


> <ALATIS_Mixture_Map>

$$$$
