@<TRIPOS>MOLECULE
DB03112
35 36 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	S1     2.0041     1.0284     1.3267	S.3	1	noname	-0.1551
2	C1     1.6825    -0.2097     0.0277	C.3	1	noname	0.0222
3	C2     0.5618     2.1622     1.1826	C.3	1	noname	0.0111
4	C3     0.1421    -0.0006    -0.0370	C.3	1	noname	0.0438
5	C4     2.5651     0.0955    -1.2080	C.3	1	noname	-0.0397
6	C5    -0.2939     1.4614     0.1262	C.3	1	noname	0.0413
7	N1    -0.5357    -0.3787    -1.2845	N.3	1	noname	-0.0687
8	C6     2.2943    -0.9441    -2.2974	C.3	1	noname	-0.0522
9	N2    -0.1105     1.9185    -1.2601	N.3	1	noname	-0.0689
10	C7    -0.7671     0.8606    -2.0395	C.2	1	noname	-0.0375
11	C8     3.1662    -0.6427    -3.5181	C.3	1	noname	-0.0527
12	O1    -1.3900     0.9875    -3.1158	O.2	1	noname	-0.2929
13	C9     2.8954    -1.6823    -4.6075	C.3	1	noname	-0.0439
14	C10     3.7672    -1.3809    -5.8281	C.3	1	noname	0.0335
15	C11     3.5088    -2.3729    -6.8677	C.2	1	noname	0.1348
16	O2     4.1202    -2.3113    -7.9562	O.2	1	noname	-0.2559
17	O3     2.6096    -3.3567    -6.6533	O.3	1	noname	-0.2189
18	H1     1.8879    -1.2802     0.0285	H	1	noname	0.0433
19	H2    -0.0338     2.1509     2.0954	H	1	noname	0.0397
20	H3     0.8573     3.1117     0.7363	H	1	noname	0.0397
21	H4    -0.1879    -0.6770     0.7515	H	1	noname	0.0498
22	H5     2.2355     1.0554    -1.6056	H	1	noname	0.0278
23	H6     3.6019    -0.0398    -0.9002	H	1	noname	0.0278
24	H7    -1.3084     1.6706     0.4654	H	1	noname	0.0495
25	H8    -0.7935    -1.3129    -1.5690	H	1	noname	0.1327
26	H9     2.6251    -1.9054    -1.9042	H	1	noname	0.0267
27	H10     1.2586    -0.8102    -2.6097	H	1	noname	0.0267
28	H11     0.3517     2.7522    -1.5939	H	1	noname	0.1327
29	H12     2.8354     0.3186    -3.9113	H	1	noname	0.0267
30	H13     4.2018    -0.7766    -3.2058	H	1	noname	0.0267
31	H14     3.2261    -2.6436    -4.2142	H	1	noname	0.0272
32	H15     1.8597    -1.5484    -4.9197	H	1	noname	0.0272
33	H16     3.4406    -0.4251    -6.2380	H	1	noname	0.0372
34	H17     4.8070    -1.5203    -5.5325	H	1	noname	0.0372
35	H18     2.4934    -3.4838    -5.7088	H	1	noname	0.2213
@<TRIPOS>BOND
1	1	2	1
2	1	3	1
3	2	4	1
4	2	5	1
5	3	6	1
6	4	7	1
7	4	6	1
8	5	8	1
9	6	9	1
10	7	10	1
11	8	11	1
12	9	10	1
13	10	12	2
14	11	13	1
15	13	14	1
16	14	15	1
17	15	16	2
18	15	17	1
19	2	18	1
20	3	19	1
21	3	20	1
22	4	21	1
23	5	22	1
24	5	23	1
25	6	24	1
26	7	25	1
27	8	26	1
28	8	27	1
29	9	28	1
30	11	29	1
31	11	30	1
32	13	31	1
33	13	32	1
34	14	33	1
35	14	34	1
36	17	35	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1