@<TRIPOS>MOLECULE
71750426
38 40 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1    -4.3199     4.9847    -0.7139	O.2	1	noname	-0.2972
2	O2     4.5908     2.7892    -0.4397	O.3	1	noname	-0.1891
3	O3     2.6974     4.0026    -0.5620	O.2	1	noname	-0.2306
4	N1     0.2948     0.8426    -0.2243	N.3	1	noname	-0.0049
5	N2     0.5176     3.0518    -0.5103	N.2	1	noname	-0.1922
6	N3     2.4938     1.7807    -0.3285	N.3	1	noname	-0.0811
7	C1    -0.9240     1.3728    -0.3580	C.2	1	noname	-0.0385
8	C2    -0.7802     2.7513    -0.5448	C.2	1	noname	0.0275
9	C3     1.1585     1.8752    -0.3349	C.2	1	noname	0.0069
10	C4    -3.1786     3.0010    -0.7062	C.2	1	noname	0.0003
11	C5    -1.8947     3.5870    -0.7340	C.2	1	noname	0.0283
12	C6    -2.1857     0.7764    -0.3001	C.2	1	noname	-0.0213
13	C7    -3.2956     1.6152    -0.3853	C.2	1	noname	-0.0085
14	C8     0.5976    -0.5377    -0.0118	C.3	1	noname	-0.0507
15	C9    -4.3208     3.7648    -1.0692	C.2	1	noname	0.0623
16	C10    -5.4299     3.2288    -1.8240	C.2	1	noname	-0.0167
17	C11    -6.5891     4.0383    -2.0424	C.2	1	noname	-0.0193
18	C12    -5.4274     1.9040    -2.4030	C.2	1	noname	-0.0193
19	C13     3.2442     2.8846    -0.4462	C.2	1	noname	0.1374
20	C14    -7.7230     3.5098    -2.7230	C.2	1	noname	-0.0478
21	C15    -6.5925     1.3444    -2.9759	C.2	1	noname	-0.0478
22	C16    -7.7354     2.1476    -3.1379	C.2	1	noname	-0.0425
23	C17     5.3728     3.7315    -1.1589	C.3	1	noname	0.0467
24	H1    -1.7758     4.5938    -0.8846	H	1	noname	0.0653
25	H2    -2.3126    -0.2377    -0.2136	H	1	noname	0.0643
26	H3    -4.1978     1.1637    -0.2745	H	1	noname	0.0631
27	H4     1.1346    -0.6511     0.9299	H	1	noname	0.0437
28	H5    -0.3286    -1.1111     0.0267	H	1	noname	0.0437
29	H6     1.2177    -0.9038    -0.8301	H	1	noname	0.0437
30	H7     2.9182     0.9131    -0.2386	H	1	noname	0.1425
31	H8    -6.6211     5.0275    -1.7411	H	1	noname	0.0630
32	H9    -4.5871     1.3254    -2.4313	H	1	noname	0.0630
33	H10    -8.5271     4.1077    -2.9135	H	1	noname	0.0622
34	H11    -6.6039     0.3675    -3.2690	H	1	noname	0.0622
35	H12    -8.5782     1.7522    -3.5549	H	1	noname	0.0622
36	H13     6.4298     3.4950    -1.0367	H	1	noname	0.0536
37	H14     5.1109     3.6895    -2.2161	H	1	noname	0.0536
38	H15     5.1779     4.7331    -0.7758	H	1	noname	0.0536
@<TRIPOS>BOND
1	1	15	2
2	2	19	1
3	2	23	1
4	3	19	2
5	4	7	1
6	4	9	1
7	4	14	1
8	5	8	1
9	5	9	2
10	6	9	1
11	6	19	1
12	6	30	1
13	7	8	2
14	7	12	1
15	8	11	1
16	10	11	2
17	10	13	1
18	10	15	1
19	11	24	1
20	12	13	2
21	12	25	1
22	13	26	1
23	14	27	1
24	14	28	1
25	14	29	1
26	15	16	1
27	16	17	2
28	16	18	1
29	17	20	1
30	17	31	1
31	18	21	2
32	18	32	1
33	20	22	2
34	20	33	1
35	21	22	1
36	21	34	1
37	22	35	1
38	23	36	1
39	23	37	1
40	23	38	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1