@<TRIPOS>MOLECULE
76964863
36 36 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	S1    -0.1460     0.0299     0.0768	S.3	1	noname	-0.1988
2	O1     5.2717     2.3887    -0.1934	O.2	1	noname	-0.2709
3	O2     2.3896    -1.8847     0.3162	O.3	1	noname	-0.2039
4	O3     3.2287    -0.3311     1.8066	O.2	1	noname	-0.2498
5	N1     5.0479    -0.5359    -0.7205	N.3	1	noname	-0.3088
6	N2     3.0500     2.2683     0.1213	N.3	1	noname	-0.1218
7	C1     5.0940    -1.6420    -1.6755	C.3	1	noname	-0.0046
8	C2     1.7906     1.6969     0.1301	C.2	1	noname	0.0620
9	C3     4.3069     0.5867    -1.3076	C.3	1	noname	0.0703
10	C4     5.8664    -2.8123    -1.0634	C.3	1	noname	-0.0435
11	C5     0.6085     2.4548    -0.1037	C.2	1	noname	0.0215
12	C6     4.2118     1.7558    -0.4023	C.2	1	noname	0.1376
13	C7     1.5598     0.3266     0.3652	C.2	1	noname	0.0753
14	C8     5.9147    -3.9698    -2.0628	C.3	1	noname	-0.0642
15	C9    -0.5858     1.7109    -0.1615	C.2	1	noname	0.0296
16	C10     0.5909     3.9099    -0.3127	C.3	1	noname	0.0145
17	C11     2.4314    -0.6340     0.8777	C.2	1	noname	0.1159
18	C12     3.2258    -2.9974     0.6442	C.3	1	noname	0.0457
19	H1     4.0787    -1.9606    -1.9117	H	1	noname	0.0427
20	H2     5.5933    -1.3142    -2.5872	H	1	noname	0.0427
21	H3     3.3048     0.2569    -1.5817	H	1	noname	0.0525
22	H4     4.8706     0.8552    -2.2011	H	1	noname	0.0525
23	H5     5.3671    -3.1400    -0.1516	H	1	noname	0.0277
24	H6     6.8817    -2.4937    -0.8272	H	1	noname	0.0277
25	H7     5.9998    -0.2371    -0.4990	H	1	noname	0.1227
26	H8     3.1143     3.1758     0.4739	H	1	noname	0.1372
27	H9     6.4650    -4.8036    -1.6267	H	1	noname	0.0231
28	H10     4.8994    -4.2885    -2.2990	H	1	noname	0.0231
29	H11     6.4140    -3.6421    -2.9745	H	1	noname	0.0231
30	H12    -1.5381     2.0555    -0.3071	H	1	noname	0.0742
31	H13     1.0040     4.4080     0.5645	H	1	noname	0.0280
32	H14    -0.4354     4.2420    -0.4693	H	1	noname	0.0280
33	H15     1.1908     4.1586    -1.1880	H	1	noname	0.0280
34	H16     2.6088    -3.8244     0.9955	H	1	noname	0.0536
35	H17     3.7805    -3.3084    -0.2410	H	1	noname	0.0536
36	H18     3.9254    -2.7075     1.4281	H	1	noname	0.0536
@<TRIPOS>BOND
1	1	13	1
2	1	15	1
3	2	12	2
4	3	17	1
5	3	18	1
6	4	17	2
7	5	7	1
8	5	9	1
9	5	25	1
10	6	8	1
11	6	12	1
12	6	26	1
13	7	10	1
14	7	19	1
15	7	20	1
16	8	11	1
17	8	13	2
18	9	12	1
19	9	21	1
20	9	22	1
21	10	14	1
22	10	23	1
23	10	24	1
24	11	15	2
25	11	16	1
26	13	17	1
27	14	27	1
28	14	28	1
29	14	29	1
30	15	30	1
31	16	31	1
32	16	32	1
33	16	33	1
34	18	34	1
35	18	35	1
36	18	36	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1