@<TRIPOS>MOLECULE
91800151
40 41 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     1.8130     0.9127    -0.5916	O.3	1	noname	-0.2601
2	O2    -0.6411    -0.0159    -1.6464	O.3	1	noname	-0.2630
3	O3     3.2051     6.8102    -2.6653	O.3	1	noname	-0.3776
4	O4     5.5836     9.5290    -3.1694	O.3	1	noname	-0.3821
5	N1     1.8878     3.7413    -1.1055	N.3	1	noname	-0.3117
6	C1     0.6502     1.7572    -0.3766	C.3	1	noname	0.1006
7	C2     0.6771     2.9557    -1.3391	C.3	1	noname	0.0245
8	C3    -0.6692     0.9557    -0.5625	C.3	1	noname	0.0815
9	C4     1.9133     4.8811    -2.0208	C.3	1	noname	0.0189
10	C5     1.8172     0.0969    -1.7054	C.2	1	noname	0.0256
11	C6     0.5576    -0.3791    -2.2266	C.2	1	noname	0.0257
12	C7     3.1803     5.7032    -1.7763	C.3	1	noname	0.0593
13	C8     3.0513    -0.3361    -2.2627	C.2	1	noname	-0.0219
14	C9     0.5335    -1.2915    -3.3225	C.2	1	noname	-0.0221
15	C10     3.0206    -1.2626    -3.3509	C.2	1	noname	-0.0635
16	C11     1.7760    -1.7347    -3.8775	C.2	1	noname	-0.0633
17	C12     4.3810     7.5732    -2.4384	C.3	1	noname	0.0702
18	C13     4.4077     8.7660    -3.3963	C.3	1	noname	0.0697
19	C14     5.6084    10.6360    -4.0584	C.3	1	noname	0.0357
20	H1     0.6852     2.2063     0.6313	H	1	noname	0.0646
21	H2    -0.1998     3.5798    -1.1669	H	1	noname	0.0455
22	H3     0.6705     2.5957    -2.3679	H	1	noname	0.0455
23	H4    -0.9229     0.4521     0.3703	H	1	noname	0.0600
24	H5    -1.4949     1.6496    -0.7200	H	1	noname	0.0600
25	H6     1.8940     4.0789    -0.1409	H	1	noname	0.1224
26	H7     1.0364     5.5051    -1.8486	H	1	noname	0.0451
27	H8     1.9067     4.5211    -3.0496	H	1	noname	0.0451
28	H9     3.1869     6.0632    -0.7475	H	1	noname	0.0579
29	H10     4.0572     5.0792    -1.9486	H	1	noname	0.0579
30	H11     3.9386     0.0065    -1.8944	H	1	noname	0.0651
31	H12    -0.3529    -1.6220    -3.7037	H	1	noname	0.0651
32	H13     3.8965    -1.5915    -3.7572	H	1	noname	0.0623
33	H14     1.7746    -2.3936    -4.6561	H	1	noname	0.0623
34	H15     4.3876     7.9332    -1.4096	H	1	noname	0.0590
35	H16     5.2579     6.9492    -2.6107	H	1	noname	0.0590
36	H17     3.5308     9.3900    -3.2241	H	1	noname	0.0590
37	H18     4.4011     8.4060    -4.4251	H	1	noname	0.0590
38	H19     6.5110    11.2217    -3.8842	H	1	noname	0.0529
39	H20     4.7314    11.2601    -3.8862	H	1	noname	0.0529
40	H21     5.6017    10.2760    -5.0872	H	1	noname	0.0529
@<TRIPOS>BOND
1	1	6	1
2	1	10	1
3	2	8	1
4	2	11	1
5	3	12	1
6	3	17	1
7	4	18	1
8	4	19	1
9	5	7	1
10	5	9	1
11	5	25	1
12	6	7	1
13	6	8	1
14	6	20	1
15	7	21	1
16	7	22	1
17	8	23	1
18	8	24	1
19	9	12	1
20	9	26	1
21	9	27	1
22	10	11	1
23	10	13	2
24	11	14	2
25	12	28	1
26	12	29	1
27	13	15	1
28	13	30	1
29	14	16	1
30	14	31	1
31	15	16	2
32	15	32	1
33	16	33	1
34	17	18	1
35	17	34	1
36	17	35	1
37	18	36	1
38	18	37	1
39	19	38	1
40	19	39	1
41	19	40	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1