@<TRIPOS>MOLECULE
76967611
34 36 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1    -1.0151     2.3010    -2.5154	O.2	1	noname	-0.2882
2	O2     0.3849     1.6330     2.6699	O.2	1	noname	-0.2899
3	N1    -0.0407     0.8975    -0.7900	N.3	1	noname	-0.0537
4	N2    -1.1327     2.7079     1.1403	N.3	1	noname	-0.0665
5	C1     1.8744    -0.4761    -0.5011	C.3	1	noname	-0.0232
6	C2     1.3793     0.8149    -1.2350	C.3	1	noname	0.0209
7	C3     1.0689    -0.5521     0.8181	C.3	1	noname	-0.0242
8	C4    -0.1486     0.3864     0.6134	C.3	1	noname	0.0913
9	C5     3.3672    -0.5954    -0.1061	C.3	1	noname	-0.0488
10	C6     2.2969     2.0731    -0.9986	C.3	1	noname	-0.0367
11	C7     4.2768     0.3036    -1.0005	C.3	1	noname	-0.0529
12	C8     3.8257     1.7926    -1.0244	C.3	1	noname	-0.0518
13	C9    -0.9546     1.9595    -1.3145	C.2	1	noname	0.0550
14	C10    -0.2413     1.5952     1.5888	C.2	1	noname	0.0493
15	C11    -1.8251     2.5907    -0.1792	C.3	1	noname	0.0852
16	C12    -2.3172     3.9703    -0.6212	C.3	1	noname	-0.0408
17	H1     1.6035    -1.3372    -1.1097	H	1	noname	0.0319
18	H2     1.3874     0.6501    -2.3204	H	1	noname	0.0475
19	H3     0.7190    -1.5728     0.9719	H	1	noname	0.0291
20	H4     1.6400    -0.2038     1.6788	H	1	noname	0.0291
21	H5    -1.0541    -0.2283     0.7405	H	1	noname	0.0569
22	H6     3.4904    -0.3112     0.9389	H	1	noname	0.0270
23	H7     3.6911    -1.6349    -0.1575	H	1	noname	0.0270
24	H8     2.0299     2.5450    -0.0530	H	1	noname	0.0283
25	H9     2.0603     2.8331    -1.7434	H	1	noname	0.0283
26	H10     4.2884    -0.0889    -2.0173	H	1	noname	0.0267
27	H11     5.3122     0.2346    -0.6669	H	1	noname	0.0267
28	H12     4.2727     2.2939    -1.8829	H	1	noname	0.0267
29	H13     4.2194     2.2807    -0.1328	H	1	noname	0.0267
30	H14    -2.6573     1.9046    -0.0220	H	1	noname	0.0563
31	H15    -1.2597     3.4927     1.6961	H	1	noname	0.1318
32	H16    -2.8221     3.8849    -1.5835	H	1	noname	0.0251
33	H17    -3.0128     4.3628     0.1205	H	1	noname	0.0251
34	H18    -1.4673     4.6462    -0.7157	H	1	noname	0.0251
@<TRIPOS>BOND
1	1	13	2
2	2	14	2
3	3	6	1
4	3	8	1
5	3	13	1
6	4	14	1
7	4	15	1
8	4	31	1
9	5	6	1
10	5	7	1
11	5	9	1
12	5	17	1
13	6	10	1
14	6	18	1
15	7	8	1
16	7	19	1
17	7	20	1
18	8	14	1
19	8	21	1
20	9	11	1
21	9	22	1
22	9	23	1
23	10	12	1
24	10	24	1
25	10	25	1
26	11	12	1
27	11	26	1
28	11	27	1
29	12	28	1
30	12	29	1
31	13	15	1
32	15	16	1
33	15	30	1
34	16	32	1
35	16	33	1
36	16	34	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1