@<TRIPOS>MOLECULE
76957432
37 37 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1    -0.5959     3.5552     0.6336	O.3	1	noname	-0.2795
2	O2     1.7390    -1.0720    -1.1462	O.3	1	noname	-0.2793
3	N1    -2.3958    -2.6041    -1.5743	N.3	1	noname	-0.3301
4	C1     1.2921     2.4303    -0.2615	C.2	1	noname	-0.0256
5	C2     2.0489     3.6788    -0.2669	C.3	1	noname	0.0175
6	C3    -0.1489     0.0530    -0.2511	C.2	1	noname	-0.0260
7	C4    -0.9057    -1.1955    -0.2457	C.3	1	noname	0.0249
8	C5    -0.0207     2.4153     0.1952	C.2	1	noname	-0.0197
9	C6     1.1638     0.0680    -0.7077	C.2	1	noname	-0.0185
10	C7     1.8844     1.2566    -0.7129	C.2	1	noname	-0.0273
11	C8     2.7811     3.8372     1.0672	C.3	1	noname	-0.0520
12	C9    -0.7412     1.2267     0.2003	C.2	1	noname	-0.0262
13	C10    -1.6380    -1.3539    -1.5797	C.3	1	noname	-0.0035
14	C11     3.5742     5.1456     1.0615	C.3	1	noname	-0.0651
15	C12    -1.2318     4.2127    -0.4525	C.3	1	noname	0.0423
16	C13     2.3749    -1.7294    -0.0601	C.3	1	noname	0.0423
17	H1     1.3664     4.5168    -0.4084	H	1	noname	0.0317
18	H2     2.7748     3.6602    -1.0798	H	1	noname	0.0317
19	H3    -1.6316    -1.1769     0.5672	H	1	noname	0.0330
20	H4    -0.2232    -2.0335    -0.1041	H	1	noname	0.0330
21	H5     2.8477     1.2676    -1.0480	H	1	noname	0.0654
22	H6     2.0553     3.8558     1.8801	H	1	noname	0.0267
23	H7     3.4637     2.9992     1.2087	H	1	noname	0.0267
24	H8    -1.7045     1.2157     0.5354	H	1	noname	0.0654
25	H9    -2.3205    -0.5159    -1.7213	H	1	noname	0.0429
26	H10    -0.9121    -1.3726    -2.3926	H	1	noname	0.0429
27	H11     4.0959     5.2584     2.0119	H	1	noname	0.0230
28	H12     2.8917     5.9835     0.9199	H	1	noname	0.0230
29	H13     4.3001     5.1269     0.2485	H	1	noname	0.0230
30	H14    -2.8849    -2.7099    -2.4654	H	1	noname	0.1184
31	H15    -3.0764    -2.5866    -0.8121	H	1	noname	0.1184
32	H16    -1.6962     5.1331    -0.0985	H	1	noname	0.0535
33	H17    -1.9952     3.5599    -0.8757	H	1	noname	0.0535
34	H18    -0.4920     4.4498    -1.2171	H	1	noname	0.0535
35	H19     2.8394    -2.6498    -0.4141	H	1	noname	0.0535
36	H20     1.6352    -1.9665     0.7045	H	1	noname	0.0535
37	H21     3.1384    -1.0767     0.3631	H	1	noname	0.0535
@<TRIPOS>BOND
1	1	8	1
2	1	15	1
3	2	9	1
4	2	16	1
5	3	13	1
6	3	30	1
7	3	31	1
8	4	5	1
9	4	8	1
10	4	10	2
11	5	11	1
12	5	17	1
13	5	18	1
14	6	7	1
15	6	9	2
16	6	12	1
17	7	13	1
18	7	19	1
19	7	20	1
20	8	12	2
21	9	10	1
22	10	21	1
23	11	14	1
24	11	22	1
25	11	23	1
26	12	24	1
27	13	25	1
28	13	26	1
29	14	27	1
30	14	28	1
31	14	29	1
32	15	32	1
33	15	33	1
34	15	34	1
35	16	35	1
36	16	36	1
37	16	37	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1