@<TRIPOS>MOLECULE
119025671
35 36 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1    -1.9770     0.7475     3.2514	O.3	1	noname	-0.2732
2	O2    -1.2702     2.8014     1.0436	O.3	1	noname	-0.2817
3	O3     1.9073    -2.3101     0.7131	O.3	1	noname	-0.2705
4	O4     2.0217    -0.5162    -1.3046	O.2	1	noname	-0.2686
5	O5     0.6011     1.0865    -2.8143	O.2	1	noname	-0.2694
6	O6    -0.4397     5.2188    -0.4663	O.2	1	noname	-0.2990
7	C1    -0.4666     0.5866     1.1101	C.2	1	noname	0.0525
8	C2     0.5184    -0.2880     0.5041	C.2	1	noname	0.0420
9	C3    -0.4677     1.9610    -0.9192	C.2	1	noname	0.0996
10	C4    -0.7715     1.7727     0.3933	C.2	1	noname	0.0218
11	C5    -1.0586     0.2007     2.3679	C.2	1	noname	0.0212
12	C6    -0.8611     3.1979    -1.6135	C.3	1	noname	0.0376
13	C7     1.0158     0.0335    -0.8047	C.2	1	noname	0.1420
14	C8     0.3532     1.0180    -1.5770	C.2	1	noname	0.1500
15	C9     0.9341    -1.4723     1.1848	C.2	1	noname	0.0376
16	C10    -0.6666    -1.0322     2.9396	C.2	1	noname	0.0082
17	C11     0.3218    -1.8489     2.3814	C.2	1	noname	-0.0047
18	C12     0.0098     4.3234    -1.2134	C.2	1	noname	0.1336
19	C13     1.4357     4.3567    -1.5760	C.3	1	noname	-0.0054
20	C14    -2.8123     1.9057     3.1257	C.3	1	noname	0.0423
21	C15     3.1710    -1.8950     1.2103	C.3	1	noname	0.0423
22	H1    -1.8969     3.4364    -1.3720	H	1	noname	0.0398
23	H2    -0.6501     3.0231    -2.6685	H	1	noname	0.0398
24	H3    -1.1063    -1.3663     3.8011	H	1	noname	0.0651
25	H4     0.5865    -2.7396     2.8616	H	1	noname	0.0651
26	H5    -0.9386     2.7968     1.9658	H	1	noname	0.2182
27	H6     1.5335     4.4367    -2.6587	H	1	noname	0.0310
28	H7     1.9190     3.4415    -1.2341	H	1	noname	0.0310
29	H8     1.9106     5.2167    -1.1038	H	1	noname	0.0310
30	H9    -3.4078     2.0241     4.0309	H	1	noname	0.0535
31	H10    -3.4744     1.7848     2.2683	H	1	noname	0.0535
32	H11    -2.1897     2.7889     2.9824	H	1	noname	0.0535
33	H12     3.9464    -2.5625     0.8345	H	1	noname	0.0535
34	H13     3.1610    -1.9267     2.2998	H	1	noname	0.0535
35	H14     3.3756    -0.8772     0.8783	H	1	noname	0.0535
@<TRIPOS>BOND
1	1	11	1
2	1	20	1
3	2	10	1
4	2	26	1
5	3	15	1
6	3	21	1
7	4	13	2
8	5	14	2
9	6	18	2
10	7	8	1
11	7	10	1
12	7	11	2
13	8	13	1
14	8	15	2
15	9	10	2
16	9	12	1
17	9	14	1
18	11	16	1
19	12	18	1
20	12	22	1
21	12	23	1
22	13	14	1
23	15	17	1
24	16	17	2
25	16	24	1
26	17	25	1
27	18	19	1
28	19	27	1
29	19	28	1
30	19	29	1
31	20	30	1
32	20	31	1
33	20	32	1
34	21	33	1
35	21	34	1
36	21	35	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1