@<TRIPOS>MOLECULE
25018
37 40 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	S1     1.8137    -0.0315     0.3474	S.3	1	noname	-0.2068
2	C1     0.0527     0.0139     0.3531	C.2	1	noname	-0.0019
3	C2     2.1312     1.7019     0.1722	C.2	1	noname	0.0391
4	C3    -1.0094    -0.9129     0.4386	C.2	1	noname	0.0722
5	C4    -0.2611     1.3761     0.1878	C.2	1	noname	0.0846
6	C5     0.8423     2.2564     0.0961	C.2	1	noname	0.0317
7	N1    -2.2944    -0.4341     0.3983	N.2	1	noname	-0.2330
8	N2    -0.8434    -2.2542     0.4333	N.3	1	noname	-0.0830
9	N3    -1.5650     1.7596     0.1270	N.2	1	noname	-0.2426
10	C6    -2.6073     0.8807     0.2385	C.2	1	noname	0.0781
11	C7    -0.6188    -3.0185     1.6450	C.3	1	noname	0.0282
12	C8    -1.1111    -2.9139    -0.8230	C.3	1	noname	0.0282
13	C9    -3.9279     1.3116     0.1906	C.2	1	noname	-0.0099
14	C10    -1.4509    -4.3533     1.6946	C.3	1	noname	0.0599
15	C11    -2.3668    -3.8242    -0.6524	C.3	1	noname	0.0599
16	C12    -4.2128     2.6621     0.0263	C.2	1	noname	0.0068
17	C13    -4.9637     0.3920     0.3070	C.2	1	noname	-0.0326
18	O1    -2.4714    -4.5080     0.6488	O.3	1	noname	-0.3786
19	C14    -5.5334     3.0931    -0.0217	C.2	1	noname	0.0107
20	C15    -6.2843     0.8229     0.2591	C.2	1	noname	-0.0397
21	O2    -5.8101     4.4047    -0.1812	O.3	1	noname	-0.2851
22	C16    -6.5692     2.1734     0.0948	C.2	1	noname	-0.0150
23	H1     3.0088     2.3461     0.1180	H	1	noname	0.0740
24	H2     0.7036     3.3302    -0.0294	H	1	noname	0.0654
25	H3     0.4359    -3.2907     1.6034	H	1	noname	0.0459
26	H4    -0.9842    -2.3742     2.4447	H	1	noname	0.0459
27	H5    -1.3597    -2.1180    -1.5251	H	1	noname	0.0459
28	H6    -0.2485    -3.5540    -1.0080	H	1	noname	0.0459
29	H7    -0.7515    -5.1673     1.5040	H	1	noname	0.0580
30	H8    -2.0236    -4.3328     2.6218	H	1	noname	0.0580
31	H9    -3.2360    -3.1672    -0.6844	H	1	noname	0.0580
32	H10    -2.2678    -4.6326    -1.3768	H	1	noname	0.0580
33	H11    -3.4005     3.3833    -0.0650	H	1	noname	0.0657
34	H12    -4.7403    -0.6671     0.4358	H	1	noname	0.0630
35	H13    -7.0966     0.1018     0.3503	H	1	noname	0.0623
36	H14    -5.8978     4.8203     0.6797	H	1	noname	0.2181
37	H15    -7.6048     2.5113     0.0572	H	1	noname	0.0650
@<TRIPOS>BOND
1	1	2	1
2	1	3	1
3	2	4	2
4	2	5	1
5	3	6	2
6	4	7	1
7	4	8	1
8	5	9	2
9	5	6	1
10	7	10	2
11	8	11	1
12	8	12	1
13	9	10	1
14	10	13	1
15	11	14	1
16	12	15	1
17	13	16	2
18	13	17	1
19	14	18	1
20	15	18	1
21	16	19	1
22	17	20	2
23	19	21	1
24	19	22	2
25	20	22	1
26	3	23	1
27	6	24	1
28	11	25	1
29	11	26	1
30	12	27	1
31	12	28	1
32	14	29	1
33	14	30	1
34	15	31	1
35	15	32	1
36	16	33	1
37	17	34	1
38	20	35	1
39	21	36	1
40	22	37	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1