
    alatis_output_mol

 32 33  0  0  0  0  0  0  0  0999 V2000
   -6.5252   -9.5047    0.2370 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3993    2.9360   -0.0558 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5902   -6.9866    0.3175 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4493   -8.0890    0.2256 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9454   -5.7487    0.3031 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8041   -6.8472    0.2116 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3769    0.3073    0.0176 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6469   -4.2599    0.0899 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8462   -8.1682    0.2702 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8462    1.5721   -0.0498 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5531   -5.6712    0.2402 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2507   -0.5554   -0.0186 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2468   -2.7850    0.0067 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3309   -1.9317    0.0330 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1234    0.1532   -0.1077 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0622   -2.4757   -0.0770 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0598   -4.3970    0.2086 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4945    1.4794   -0.1271 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1690  -10.1344    1.0582 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3199  -10.0027   -0.7161 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6110   -9.4049    0.3373 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4908    2.9221    0.0150 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1228    3.4566   -0.9779 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0095    3.5089    0.7912 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6763   -7.0176    0.3586 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8525   -8.9986    0.1939 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5379   -4.8384    0.3332 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7195   -6.8413    0.1726 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4216    0.0472    0.0873 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2892   -4.7394   -0.8283 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1523   -4.6771    0.9748 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2500   -2.3525    0.1039 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  9  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 10  1  0  0  0  0
  2 22  1  0  0  0  0
  2 23  1  0  0  0  0
  2 24  1  0  0  0  0
  3  5  1  0  0  0  0
  3 25  1  0  0  0  0
  4  6  2  0  0  0  0
  4 26  1  0  0  0  0
  5 11  2  0  0  0  0
  5 27  1  0  0  0  0
  6 11  1  0  0  0  0
  6 28  1  0  0  0  0
  7 12  1  0  0  0  0
  7 29  1  0  0  0  0
  8 13  1  0  0  0  0
  8 30  1  0  0  0  0
  8 31  1  0  0  0  0
  9  3  2  0  0  0  0
  9  4  1  0  0  0  0
 10  7  2  0  0  0  0
 11 17  1  0  0  0  0
 13 14  1  0  0  0  0
 14 12  1  0  0  0  0
 14 32  1  0  0  0  0
 15 12  2  0  0  0  0
 16 13  2  0  0  0  0
 17  8  1  0  0  0  0
 18 10  1  0  0  0  0
 18 15  1  0  0  0  0
M  END
>  <ID>
Z19731563

>  <Barcode>
0110705898

>  <Well>
E06

>  <Plate_ID>
816280-01

>  <MW>
246.27

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

> <ALATIS_Standard_InChI>
InChI=1S/C13H14N2O3/c1-9-3-5-11(6-4-9)17-8-13(16)14-12-7-10(2)18-15-12/h3-7H,8H2,1-2H3,(H,14,15,16)

> <ALATIS_Warnings>

> <ALATIS_Errors>

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


> <ALATIS_Mixture_Map>

$$$$
