@<TRIPOS>MOLECULE
118796476
40 40 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1    -1.9229    -0.8819    -2.9276	O.3	1	noname	-0.1992
2	O2    -4.8630    -3.0429    -3.1661	O.3	1	noname	-0.3892
3	N1    -1.0204    -0.5633    -3.7244	N.2	1	noname	-0.2094
4	N2    -4.0851    -3.3843    -0.3088	N.3	1	noname	-0.3093
5	C1     0.1196     0.7804    -2.0664	C.3	1	noname	-0.0007
6	C2    -0.0503     2.2988    -1.9118	C.3	1	noname	-0.0445
7	C3     1.3093     1.6386    -1.6184	C.3	1	noname	-0.0445
8	C4    -0.0423     0.2141    -3.4313	C.2	1	noname	0.0612
9	C5     0.8207     0.4241    -4.5754	C.3	1	noname	-0.0236
10	C6    -3.4286    -4.1092     0.8038	C.3	1	noname	0.0099
11	C7    -3.2114    -2.9544    -1.4269	C.3	1	noname	0.0242
12	C8    -3.9251    -2.1773    -2.5342	C.3	1	noname	0.0925
13	C9    -2.8544    -1.7534    -3.5593	C.3	1	noname	0.1043
14	C10    -4.5501    -4.4939     1.7610	C.3	1	noname	-0.0474
15	C11    -2.4723    -3.2635     1.6664	C.3	1	noname	-0.0474
16	C12    -2.7706    -5.4574     0.4447	C.3	1	noname	-0.0474
17	H1    -0.4429     0.2972    -1.2914	H	1	noname	0.0365
18	H2     1.6030     1.5634    -0.5821	H	1	noname	0.0273
19	H3     2.0522     1.9825    -2.3256	H	1	noname	0.0273
20	H4    -0.5562     2.6933    -1.0143	H	1	noname	0.0273
21	H5    -0.1813     2.8107    -2.8480	H	1	noname	0.0273
22	H6     1.6261     1.1347    -4.3819	H	1	noname	0.0293
23	H7     0.2257     0.7705    -5.4205	H	1	noname	0.0293
24	H8     1.2104    -0.5427    -4.8939	H	1	noname	0.0293
25	H9    -2.7154    -3.8251    -1.8558	H	1	noname	0.0455
26	H10    -2.4443    -2.3205    -0.9822	H	1	noname	0.0455
27	H11    -4.5877    -2.5751     0.0613	H	1	noname	0.1228
28	H12    -4.4247    -1.2823    -2.1440	H	1	noname	0.0639
29	H13    -3.3322    -1.2341    -4.3901	H	1	noname	0.0622
30	H14    -2.3317    -2.6186    -3.9672	H	1	noname	0.0622
31	H15    -2.0443    -3.8865     2.4518	H	1	noname	0.0249
32	H16    -3.0234    -2.4382     2.1173	H	1	noname	0.0249
33	H17    -1.6726    -2.8674     1.0406	H	1	noname	0.0249
34	H18    -2.3238    -5.8932     1.3384	H	1	noname	0.0249
35	H19    -3.5258    -6.1361     0.0482	H	1	noname	0.0249
36	H20    -1.9972    -5.2957    -0.3062	H	1	noname	0.0249
37	H21    -4.1333    -5.0352     2.6103	H	1	noname	0.0249
38	H22    -5.2685    -5.1288     1.2425	H	1	noname	0.0249
39	H23    -5.0509    -3.5927     2.1149	H	1	noname	0.0249
40	H24    -5.3279    -2.5566    -3.8787	H	1	noname	0.2106
@<TRIPOS>BOND
1	1	3	1
2	1	13	1
3	12	2	1
4	2	40	1
5	3	8	2
6	4	10	1
7	4	11	1
8	4	27	1
9	5	6	1
10	5	7	1
11	5	8	1
12	5	17	1
13	6	7	1
14	6	20	1
15	6	21	1
16	7	18	1
17	7	19	1
18	8	9	1
19	9	22	1
20	9	23	1
21	9	24	1
22	10	14	1
23	10	15	1
24	10	16	1
25	11	12	1
26	11	25	1
27	11	26	1
28	12	13	1
29	12	28	1
30	13	29	1
31	13	30	1
32	14	37	1
33	14	38	1
34	14	39	1
35	15	31	1
36	15	32	1
37	15	33	1
38	16	34	1
39	16	35	1
40	16	36	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1