@<TRIPOS>MOLECULE
76958691
36 39 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     3.5470     0.7091     1.9656	O.2	1	noname	-0.2856
2	O2     1.5903     3.1662    -1.3911	O.2	1	noname	-0.2856
3	O3     1.2837    -0.6269     2.2548	O.2	1	noname	-0.2832
4	O4    -3.1767    -0.1803     1.1156	O.2	1	noname	-0.2894
5	N1     1.8372     1.8208     0.6377	N.3	1	noname	0.0883
6	N2    -1.0796    -0.3460     2.3232	N.3	1	noname	0.0786
7	C1     2.7808    -1.3304    -0.7204	C.3	1	noname	-0.0292
8	C2     1.8527    -0.1291    -2.3427	C.3	1	noname	-0.0292
9	C3     3.3167     0.1117    -0.4247	C.3	1	noname	0.0475
10	C4     2.6865     0.9423    -1.5522	C.3	1	noname	0.0475
11	C5     2.7918    -1.3381    -2.2503	C.3	1	noname	-0.0460
12	C6     1.2712    -1.6319    -0.5641	C.3	1	noname	-0.0494
13	C7     0.6213    -0.7545    -1.6491	C.3	1	noname	-0.0494
14	C8     2.9665     0.8688     0.8702	C.2	1	noname	0.0895
15	C9     1.9823     2.1189    -0.8325	C.2	1	noname	0.0895
16	C10     0.4241     1.3904     1.0980	C.3	1	noname	0.0992
17	C11    -0.5524     2.4314     1.7837	C.3	1	noname	-0.0198
18	C12     0.2853     0.0545     1.9365	C.2	1	noname	0.0883
19	C13    -2.0741     1.9344     1.7940	C.3	1	noname	0.0236
20	C14    -2.2171     0.3874     1.6808	C.2	1	noname	0.0804
21	H1     3.3887    -2.1181    -0.2683	H	1	noname	0.0311
22	H2     1.6230     0.1736    -3.3672	H	1	noname	0.0311
23	H3     4.4138     0.1168    -0.4954	H	1	noname	0.0408
24	H4     3.4543     1.3659    -2.2080	H	1	noname	0.0408
25	H5     2.2761    -2.2273    -2.6128	H	1	noname	0.0273
26	H6     3.7738    -1.1575    -2.6875	H	1	noname	0.0273
27	H7     0.9348    -1.3028     0.4190	H	1	noname	0.0270
28	H8     1.0856    -2.6856    -0.7726	H	1	noname	0.0270
29	H9     0.0324     0.0314    -1.1763	H	1	noname	0.0270
30	H10     0.1365    -1.3738    -2.4038	H	1	noname	0.0270
31	H11    -0.1179     1.2507     0.1579	H	1	noname	0.0574
32	H12    -0.4861     3.3878     1.2651	H	1	noname	0.0293
33	H13    -0.1978     2.5677     2.8053	H	1	noname	0.0293
34	H14    -2.6173     2.4101     0.9774	H	1	noname	0.0361
35	H15    -2.6071     2.2958     2.6734	H	1	noname	0.0361
36	H16    -1.2348    -1.0550     2.9667	H	1	noname	0.1400
@<TRIPOS>BOND
1	1	14	2
2	2	15	2
3	3	18	2
4	4	20	2
5	5	14	1
6	5	15	1
7	16	5	1
8	6	18	1
9	6	20	1
10	6	36	1
11	7	9	1
12	7	11	1
13	7	12	1
14	7	21	1
15	8	10	1
16	8	11	1
17	8	13	1
18	8	22	1
19	9	10	1
20	9	14	1
21	9	23	1
22	10	15	1
23	10	24	1
24	11	25	1
25	11	26	1
26	12	13	1
27	12	27	1
28	12	28	1
29	13	29	1
30	13	30	1
31	16	17	1
32	16	18	1
33	16	31	1
34	17	19	1
35	17	32	1
36	17	33	1
37	19	20	1
38	19	34	1
39	19	35	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1