@<TRIPOS>MOLECULE
DB01382
36 37 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	S1    -1.0073    -1.6960    -0.2342	S	1	noname	-0.0839
2	O1     0.0149    -2.8451     0.2531	O.2	1	noname	-0.1930
3	O2    -2.3807    -2.3746    -0.7210	O.2	1	noname	-0.1930
4	N1    -1.4122    -0.6694     1.0792	N.3	1	noname	0.1291
5	C1    -0.1283    -0.8722    -1.5137	C.2	1	noname	0.0196
6	C2    -1.7413    -1.1299     2.3080	C.2	1	noname	0.0800
7	C3     0.7126     0.2412    -1.2080	C.2	1	noname	0.0136
8	C4    -0.2002    -1.4373    -2.8215	C.2	1	noname	0.0136
9	N2    -2.0421    -0.3141     3.3835	N.2	1	noname	-0.1995
10	N3    -1.7161    -2.4814     2.5105	N.2	1	noname	-0.1995
11	C5     1.4698     0.8503    -2.2579	C.2	1	noname	-0.0360
12	C6     0.5499    -0.8416    -3.8780	C.2	1	noname	-0.0360
13	C7    -2.2807    -0.8242     4.6354	C.2	1	noname	0.0450
14	C8    -1.9604    -3.0368     3.7339	C.2	1	noname	0.0450
15	C9     1.3613     0.2978    -3.5747	C.2	1	noname	-0.0291
16	C10    -2.2446    -2.2235     4.8597	C.2	1	noname	0.0465
17	O3    -2.4689    -2.7535     6.0809	O.3	1	noname	-0.2611
18	C11    -1.2394    -2.8616     6.7831	C.3	1	noname	0.0769
19	C12    -1.4936    -3.4623     8.1671	C.3	1	noname	0.0703
20	O4    -0.2641    -3.5704     8.8693	O.3	1	noname	-0.3821
21	C13    -0.5001    -4.1278    10.1538	C.3	1	noname	0.0357
22	H1    -1.4634     0.3377     1.1364	H	1	noname	0.1538
23	H2     0.7756     0.6207    -0.1882	H	1	noname	0.0639
24	H3    -0.8205    -2.3133    -3.0111	H	1	noname	0.0639
25	H4     2.1103     1.7098    -2.0603	H	1	noname	0.0623
26	H5     0.5042    -1.2459    -4.8892	H	1	noname	0.0623
27	H6    -2.4968    -0.1252     5.4433	H	1	noname	0.0869
28	H7    -1.9287    -4.1236     3.8115	H	1	noname	0.0869
29	H8     1.9222     0.7661    -4.3835	H	1	noname	0.0622
30	H9    -0.6398    -3.5706     6.2122	H	1	noname	0.0596
31	H10    -0.8907    -1.8377     6.9182	H	1	noname	0.0596
32	H11    -2.0932    -2.7532     8.7380	H	1	noname	0.0590
33	H12    -1.8423    -4.4861     8.0320	H	1	noname	0.0590
34	H13    -0.4876    -5.2156    10.0857	H	1	noname	0.0529
35	H14     0.2784    -3.7979    10.8417	H	1	noname	0.0529
36	H15    -1.4722    -3.7979    10.5201	H	1	noname	0.0529
@<TRIPOS>BOND
1	1	2	2
2	1	3	2
3	1	4	1
4	1	5	1
5	4	6	1
6	5	7	2
7	5	8	1
8	6	9	2
9	6	10	1
10	7	11	1
11	8	12	2
12	9	13	1
13	10	14	2
14	11	15	2
15	12	15	1
16	13	16	2
17	14	16	1
18	16	17	1
19	17	18	1
20	18	19	1
21	19	20	1
22	20	21	1
23	4	22	1
24	7	23	1
25	8	24	1
26	11	25	1
27	12	26	1
28	13	27	1
29	14	28	1
30	15	29	1
31	18	30	1
32	18	31	1
33	19	32	1
34	19	33	1
35	21	34	1
36	21	35	1
37	21	36	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1