@<TRIPOS>MOLECULE
118796464
38 39 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1    -1.5238    -1.9496     1.2648	O.3	1	noname	-0.3900
2	O2     1.5404    -0.4791     3.4853	O.3	1	noname	-0.2141
3	O3     2.0923    -1.4211     1.8276	O.2	1	noname	-0.2416
4	N1    -3.0833    -3.3139    -0.8134	N.3	1	noname	-0.3006
5	N2     0.3571     0.0499     0.3482	N.3	1	noname	0.0017
6	N3     0.7648     1.3985     1.9943	N.2	1	noname	-0.1982
7	N4     1.1896    -0.8957     2.3435	N.2	1	noname	-0.1704
8	C1    -3.2695    -4.7310    -1.2504	C.3	1	noname	-0.0017
9	C2    -4.0506    -2.2660    -1.2762	C.3	1	noname	-0.0017
10	C3    -4.5651    -5.0800    -2.0750	C.3	1	noname	-0.0403
11	C4    -4.5760    -2.4695    -2.7221	C.3	1	noname	-0.0403
12	C5    -5.1338    -3.9111    -2.9180	C.3	1	noname	-0.0509
13	C6    -1.6460    -2.9241    -0.9442	C.3	1	noname	0.0259
14	C7    -1.2717    -1.6785    -0.1124	C.3	1	noname	0.0829
15	C8     0.1702    -1.1772    -0.3482	C.3	1	noname	-0.0234
16	C9     0.7982     0.1129     1.6138	C.2	1	noname	0.0393
17	C10     0.0664     1.2861    -0.0929	C.2	1	noname	-0.0748
18	C11     0.3251     2.1408     0.9755	C.2	1	noname	0.0179
19	H1    -3.2012    -5.3901    -0.3849	H	1	noname	0.0430
20	H2    -2.3873    -4.9612    -1.8477	H	1	noname	0.0430
21	H3    -4.8933    -2.2195    -0.5865	H	1	noname	0.0430
22	H4    -3.5718    -1.2879    -1.2306	H	1	noname	0.0430
23	H5    -5.3367    -5.4502    -1.4000	H	1	noname	0.0279
24	H6    -4.3592    -5.9283    -2.7278	H	1	noname	0.0279
25	H7    -5.3631    -1.7442    -2.9280	H	1	noname	0.0279
26	H8    -3.7243    -2.3592    -3.3933	H	1	noname	0.0279
27	H9    -6.2202    -3.8952    -2.8308	H	1	noname	0.0267
28	H10    -4.9205    -4.1388    -3.9624	H	1	noname	0.0267
29	H11    -1.4124    -2.7438    -1.9935	H	1	noname	0.0458
30	H12    -1.0227    -3.7578    -0.6208	H	1	noname	0.0458
31	H13    -1.9116    -0.8578    -0.4212	H	1	noname	0.0630
32	H14     0.3295    -1.0176    -1.4146	H	1	noname	0.0501
33	H15     0.8250    -1.9579     0.0387	H	1	noname	0.0501
34	H16    -0.9823    -2.7144     1.5517	H	1	noname	0.2105
35	H17    -0.2735     1.5446    -1.0192	H	1	noname	0.0809
36	H18     0.2008     3.1532     0.9790	H	1	noname	0.0854
37	H19     1.8343    -1.2366     4.0333	H	1	noname	0.2598
38	H20     0.4861    -1.5046     2.4365	H	1	noname	0.2808
@<TRIPOS>BOND
1	14	1	1
2	1	34	1
3	2	7	1
4	2	37	1
5	3	7	2
6	4	8	1
7	4	9	1
8	4	13	1
9	5	15	1
10	5	16	1
11	5	17	1
12	6	16	2
13	6	18	1
14	7	16	1
15	7	38	1
16	8	10	1
17	8	19	1
18	8	20	1
19	9	11	1
20	9	21	1
21	9	22	1
22	10	12	1
23	10	23	1
24	10	24	1
25	11	12	1
26	11	25	1
27	11	26	1
28	12	27	1
29	12	28	1
30	13	14	1
31	13	29	1
32	13	30	1
33	14	15	1
34	14	31	1
35	15	32	1
36	15	33	1
37	17	18	2
38	17	35	1
39	18	36	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1