@<TRIPOS>MOLECULE
DB07473
38 41 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	S1     2.9926     1.2523    -0.4711	S.3	1	noname	-0.1271
2	C1     1.2808     1.9016    -0.4911	C.3	1	noname	0.1268
3	C2     2.9083     0.3019    -2.0296	C.3	1	noname	0.0216
4	N1     0.5675     0.8277    -1.2513	N.3	1	noname	-0.0412
5	C3     1.2848     3.2655    -1.2240	C.2	1	noname	-0.0394
6	C4     0.6693     1.8774     0.8436	C.2	1	noname	0.0033
7	C5     1.4673    -0.2044    -1.9183	C.3	1	noname	0.1144
8	C6    -0.6532     0.4043    -0.4946	C.2	1	noname	0.0271
9	C7     0.0997     3.9754    -1.3777	C.2	1	noname	-0.0471
10	C8     2.4736     3.7799    -1.7284	C.2	1	noname	-0.0471
11	C9    -0.4367     0.9900     0.8366	C.2	1	noname	0.0033
12	C10     1.1768     2.4701     2.0479	C.2	1	noname	-0.0314
13	C11     1.6276    -1.6302    -1.3392	C.2	1	noname	0.1488
14	O1    -1.6195    -0.2795    -0.8961	O.2	1	noname	-0.2920
15	C12     0.1033     5.1998    -2.0356	C.2	1	noname	-0.0578
16	C13     2.4772     5.0043    -2.3864	C.2	1	noname	-0.0578
17	C14    -1.0737     0.6033     2.0500	C.2	1	noname	-0.0138
18	C15     0.5604     2.0487     3.2627	C.2	1	noname	-0.0403
19	O2     1.2096    -2.6169    -1.9829	O.2	1	noname	-0.2476
20	O3     2.2188    -1.8087    -0.1388	O.3	1	noname	-0.2042
21	C16     1.2921     5.7143    -2.5400	C.2	1	noname	-0.0609
22	C17    -0.5313     1.1210     3.2690	C.2	1	noname	-0.0452
23	C18     2.3659    -3.1173     0.3927	C.3	1	noname	0.0454
24	H1     2.9394     0.9616    -2.8968	H	1	noname	0.0403
25	H2     3.5504    -0.5780    -1.9910	H	1	noname	0.0403
26	H3     0.8962    -0.2961    -2.8422	H	1	noname	0.0590
27	H4    -0.8324     3.5720    -0.9821	H	1	noname	0.0626
28	H5     3.4029     3.2232    -1.6080	H	1	noname	0.0626
29	H6     1.9860     3.2003     2.0404	H	1	noname	0.0626
30	H7    -0.8260     5.7565    -2.1561	H	1	noname	0.0622
31	H8     3.4093     5.4077    -2.7819	H	1	noname	0.0622
32	H9    -1.9386    -0.0599     2.0459	H	1	noname	0.0630
33	H10     0.9322     2.4447     4.2077	H	1	noname	0.0622
34	H11     1.2949     6.6744    -3.0560	H	1	noname	0.0622
35	H12    -0.9579     0.8027     4.2202	H	1	noname	0.0622
36	H13     2.3606    -3.0699     1.4816	H	1	noname	0.0536
37	H14     1.5406    -3.7426     0.0522	H	1	noname	0.0536
38	H15     3.3094    -3.5438     0.0522	H	1	noname	0.0536
@<TRIPOS>BOND
1	1	2	1
2	1	3	1
3	2	4	1
4	2	5	1
5	2	6	1
6	3	7	1
7	4	8	1
8	4	7	1
9	5	9	2
10	5	10	1
11	6	11	2
12	6	12	1
13	7	13	1
14	8	14	2
15	8	11	1
16	9	15	1
17	10	16	2
18	11	17	1
19	12	18	2
20	13	19	2
21	13	20	1
22	15	21	2
23	16	21	1
24	17	22	2
25	18	22	1
26	20	23	1
27	3	24	1
28	3	25	1
29	7	26	1
30	9	27	1
31	10	28	1
32	12	29	1
33	15	30	1
34	16	31	1
35	17	32	1
36	18	33	1
37	21	34	1
38	22	35	1
39	23	36	1
40	23	37	1
41	23	38	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1