@<TRIPOS>MOLECULE
91936873
35 36 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     1.6892    -0.5122    -1.3398	O.3	1	noname	-0.2698
2	O2     4.9058    -1.0362     0.2978	O.3	1	noname	-0.3901
3	O3     5.5234    -4.6785     0.5493	O.3	1	noname	-0.2068
4	N1     4.9371    -4.4146    -1.9315	N.3	1	noname	-0.1272
5	N2     4.9129    -3.6382     0.1681	N.2	1	noname	-0.2118
6	C1     3.6667    -1.4033    -0.2905	C.3	1	noname	0.0845
7	C2     2.9283    -0.1451    -0.7515	C.3	1	noname	0.0798
8	C3     3.9229    -2.3138    -1.4931	C.3	1	noname	0.0306
9	C4     0.1678     1.2500    -0.8804	C.2	1	noname	-0.0189
10	C5     1.0377     0.5980    -1.7466	C.2	1	noname	0.0118
11	C6    -0.5030     2.3931    -1.2992	C.2	1	noname	-0.0346
12	C7     1.2368     1.0891    -3.0316	C.2	1	noname	-0.0260
13	C8    -0.0313     0.7589     0.4046	C.2	1	noname	-0.0367
14	C9    -0.3039     2.8842    -2.5843	C.2	1	noname	-0.0590
15	C10    -1.3729     3.0452    -0.4331	C.2	1	noname	-0.0456
16	C11     4.6130    -3.4898    -1.0622	C.2	1	noname	-0.0291
17	C12     0.5660     2.2322    -3.4505	C.2	1	noname	-0.0472
18	C13    -0.9011     1.4110     1.2708	C.2	1	noname	-0.0544
19	C14    -1.5719     2.5541     0.8520	C.2	1	noname	-0.0564
20	H1     3.0589    -1.9329     0.4432	H	1	noname	0.0629
21	H2     2.7458     0.5035     0.1053	H	1	noname	0.0599
22	H3     3.5361     0.3845    -1.4852	H	1	noname	0.0599
23	H4     2.9718    -2.5956    -1.9447	H	1	noname	0.0371
24	H5     4.5307    -1.7842    -2.2268	H	1	noname	0.0371
25	H6     1.8751     0.6106    -3.6672	H	1	noname	0.0650
26	H7     0.4610    -0.0799     0.7120	H	1	noname	0.0630
27	H8    -0.7961     3.7230    -2.8916	H	1	noname	0.0629
28	H9    -1.8651     3.8840    -0.7404	H	1	noname	0.0629
29	H10     0.7121     2.5925    -4.3934	H	1	noname	0.0623
30	H11    -1.0472     1.0506     2.2138	H	1	noname	0.0622
31	H12    -2.2103     3.0326     1.4876	H	1	noname	0.0622
32	H13     4.7417    -0.4530     1.0681	H	1	noname	0.2105
33	H14     4.6381    -4.1472    -2.8147	H	1	noname	0.1255
34	H15     4.5129    -5.2518    -1.6863	H	1	noname	0.1255
35	H16     5.6745    -4.6326     1.5165	H	1	noname	0.2481
@<TRIPOS>BOND
1	1	7	1
2	1	10	1
3	6	2	1
4	2	32	1
5	3	5	1
6	3	35	1
7	4	16	1
8	4	33	1
9	4	34	1
10	5	16	2
11	6	7	1
12	6	8	1
13	6	20	1
14	7	21	1
15	7	22	1
16	8	16	1
17	8	23	1
18	8	24	1
19	9	10	1
20	9	11	1
21	9	13	2
22	10	12	2
23	11	14	1
24	11	15	2
25	12	17	1
26	12	25	1
27	13	18	1
28	13	26	1
29	14	17	2
30	14	27	1
31	15	19	1
32	15	28	1
33	17	29	1
34	18	19	2
35	18	30	1
36	19	31	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1