@<TRIPOS>MOLECULE
DB03970
37 40 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	S1     3.9537     2.2390     2.1879	S.3	1	noname	-0.1402
2	C1     3.3613     2.4311     0.4430	C.3	1	noname	0.0812
3	C2     3.1600     0.7379     2.8438	C.3	1	noname	0.0430
4	C3     3.5397     1.2469    -0.3819	C.2	1	noname	0.1026
5	C4     3.9326     3.6320    -0.2246	C.2	1	noname	0.0370
6	C5     3.8137    -0.3988     2.2675	C.2	1	noname	0.1261
7	C6     3.3741     1.4772    -1.7120	C.2	1	noname	0.1089
8	C7     3.8358    -0.0291    -0.0878	C.2	1	noname	0.0561
9	N1     3.5841     4.1167    -1.4515	N.2	1	noname	-0.2012
10	C8     4.8409     4.5136     0.3722	C.2	1	noname	-0.0283
11	N2     4.0410    -0.6469     1.0324	N.2	1	noname	-0.1978
12	C9     4.2504    -1.3383     3.1485	C.2	1	noname	0.1266
13	O1     4.0012     0.7913    -2.5479	O.2	1	noname	-0.2571
14	O2     2.5323     2.4465    -2.1296	O.3	1	noname	-0.2176
15	C10     4.2164     5.3044    -1.5305	C.2	1	noname	0.0136
16	N3     4.9396     5.5489    -0.4431	N.3	1	noname	0.0448
17	O3     4.8320    -2.3634     2.7320	O.2	1	noname	-0.2485
18	O4     4.0557    -1.1639     4.4730	O.3	1	noname	-0.2113
19	S2     4.3827     6.7127    -2.5864	S.3	1	noname	-0.1832
20	C11     5.5762     6.7393    -0.3567	C.2	1	noname	-0.0484
21	C12     5.4261     7.5691    -1.4492	C.2	1	noname	0.0340
22	C13     6.4040     7.3381     0.6869	C.3	1	noname	0.0251
23	C14     6.1415     8.8309    -1.3450	C.3	1	noname	0.0393
24	C15     6.7896     8.6941     0.0589	C.3	1	noname	-0.0430
25	H1     2.2988     2.5701     0.2433	H	1	noname	0.0537
26	H2     3.3659     0.6244     3.9082	H	1	noname	0.0449
27	H3     2.1389     0.6463     2.4734	H	1	noname	0.0449
28	H4     3.9293    -0.7059    -0.9371	H	1	noname	0.0845
29	H5     5.3806     4.4110     1.3136	H	1	noname	0.0816
30	H6     2.1492     2.8877    -1.3679	H	1	noname	0.2216
31	H7     3.9926    -2.0200     4.9026	H	1	noname	0.2217
32	H8     5.7642     7.5147     1.5516	H	1	noname	0.0329
33	H9     7.2991     6.7243     0.7876	H	1	noname	0.0329
34	H10     6.9218     8.8306    -2.1060	H	1	noname	0.0325
35	H11     5.3996     9.6292    -1.3255	H	1	noname	0.0325
36	H12     6.3447     9.4656     0.6873	H	1	noname	0.0274
37	H13     7.8686     8.6706    -0.0937	H	1	noname	0.0274
@<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	8	2
8	5	9	1
9	5	10	2
10	6	11	2
11	6	12	1
12	7	13	2
13	7	14	1
14	8	11	1
15	9	15	2
16	10	16	1
17	12	17	2
18	12	18	1
19	15	19	1
20	15	16	1
21	16	20	1
22	19	21	1
23	20	22	1
24	20	21	2
25	21	23	1
26	22	24	1
27	23	24	1
28	2	25	1
29	3	26	1
30	3	27	1
31	8	28	1
32	10	29	1
33	14	30	1
34	18	31	1
35	22	32	1
36	22	33	1
37	23	34	1
38	23	35	1
39	24	36	1
40	24	37	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1