@<TRIPOS>MOLECULE
DB03683
28 27 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     3.2275    -1.1579     0.1145	O.2	1	noname	-0.2543
2	C1     2.1573    -0.9860    -0.5081	C.2	1	noname	0.1371
3	O2     1.6612    -1.9735    -1.2834	O.3	1	noname	-0.2177
4	C2     1.4438     0.2829    -0.3967	C.3	1	noname	0.0606
5	C3     0.0455     0.0336     0.1720	C.3	1	noname	0.0441
6	C4     1.3246     0.9241    -1.7808	C.3	1	noname	-0.0374
7	N1    -0.6435     1.2591     0.2795	N.3	1	noname	0.0153
8	C5     2.7229     1.1735    -2.3495	C.3	1	noname	-0.0463
9	O3    -1.8580     1.2834     0.7427	O.3	1	noname	-0.3152
10	C6    -0.0599     2.3730    -0.0872	C.2	1	noname	0.0799
11	C7     2.6036     1.8146    -3.7336	C.3	1	noname	-0.0627
12	C8     3.4927     2.1114    -1.4176	C.3	1	noname	-0.0627
13	O4    -0.6561     3.4334     0.0058	O.2	1	noname	-0.2870
14	H1     1.3103    -2.6721    -0.7262	H	1	noname	0.2213
15	H2     2.0250     0.9169     0.2730	H	1	noname	0.0423
16	H3    -0.5177    -0.5512    -0.5552	H	1	noname	0.0469
17	H4     0.1541    -0.3270     1.1949	H	1	noname	0.0469
18	H5     0.8481     0.1882    -2.4285	H	1	noname	0.0278
19	H6     0.8648     1.9018    -1.6361	H	1	noname	0.0278
20	H7     3.2555     0.2261    -2.4327	H	1	noname	0.0297
21	H8    -1.8346     1.2830     1.7024	H	1	noname	0.2383
22	H9     0.9548     2.4192    -0.4827	H	1	noname	0.1255
23	H10     2.5383     1.0338    -4.4913	H	1	noname	0.0233
24	H11     1.7071     2.4334    -3.7713	H	1	noname	0.0233
25	H12     3.4805     2.4334    -3.9241	H	1	noname	0.0233
26	H13     3.2784     1.8503    -0.3813	H	1	noname	0.0233
27	H14     4.5620     2.0114    -1.6038	H	1	noname	0.0233
28	H15     3.1862     3.1407    -1.6038	H	1	noname	0.0233
@<TRIPOS>BOND
1	1	2	2
2	2	3	1
3	2	4	1
4	4	5	1
5	4	6	1
6	5	7	1
7	6	8	1
8	7	9	1
9	7	10	1
10	8	11	1
11	8	12	1
12	10	13	2
13	3	14	1
14	4	15	1
15	5	16	1
16	5	17	1
17	6	18	1
18	6	19	1
19	8	20	1
20	9	21	1
21	10	22	1
22	11	23	1
23	11	24	1
24	11	25	1
25	12	26	1
26	12	27	1
27	12	28	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1