@<TRIPOS>MOLECULE
DB05015
36 37 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	S1    -0.9427    -1.6667    -0.1222	S	1	noname	-0.0980
2	O1     0.0112    -2.6949     0.6267	O.2	1	noname	-0.1953
3	O2    -2.2655    -2.4148    -0.5897	O.2	1	noname	-0.1953
4	N1    -1.3469    -0.4147     0.9226	N.3	1	noname	0.0780
5	C1    -0.1251    -1.0231    -1.5043	C.2	1	noname	0.0227
6	C2    -1.5382    -0.9054     2.1548	C.2	1	noname	-0.0242
7	C3     0.6393     0.1316    -1.3844	C.2	1	noname	0.0236
8	C4    -0.2326    -1.6608    -2.7348	C.2	1	noname	0.0131
9	C5    -1.8839    -0.0526     3.1965	C.2	1	noname	-0.0463
10	C6    -1.3911    -2.2672     2.3911	C.2	1	noname	-0.0463
11	C7     1.2961     0.6487    -2.4949	C.2	1	noname	-0.0187
12	C8     0.4243    -1.1437    -3.8453	C.2	1	noname	-0.0328
13	C9    -2.0824    -0.5616     4.4747	C.2	1	noname	-0.0598
14	C10    -1.5896    -2.7762     3.6692	C.2	1	noname	-0.0598
15	C11     1.1886     0.0111    -3.7254	C.2	1	noname	-0.0189
16	C12     2.0440     1.7786    -2.3776	C.2	1	noname	-0.0131
17	C13    -1.9352    -1.9234     4.7110	C.2	1	noname	-0.0746
18	C14     1.7194     2.7002    -1.4754	C.2	1	noname	0.0382
19	C15     2.4673     3.8300    -1.3580	C.2	1	noname	0.0511
20	O3     2.1622     4.6963    -0.5101	O.2	1	noname	-0.2865
21	N2     3.5313     4.0146    -2.1514	N.3	1	noname	0.0095
22	O4     4.2462     5.0946    -2.0393	O.3	1	noname	-0.3183
23	H1    -1.4686     0.5822     0.8154	H	1	noname	0.1506
24	H2     0.7236     0.6317    -0.4196	H	1	noname	0.0645
25	H3    -0.8320    -2.5663    -2.8288	H	1	noname	0.0639
26	H4    -1.9993     1.0153     3.0112	H	1	noname	0.0639
27	H5    -1.1200    -2.9360     1.5742	H	1	noname	0.0639
28	H6     0.3400    -1.6437    -4.8101	H	1	noname	0.0623
29	H7    -2.3534     0.1072     5.2916	H	1	noname	0.0623
30	H8    -1.4742    -3.8441     3.8546	H	1	noname	0.0623
31	H9     1.7038     0.4166    -4.5962	H	1	noname	0.0628
32	H10     2.9131     1.9472    -3.0136	H	1	noname	0.0630
33	H11    -2.0909    -2.3225     5.7133	H	1	noname	0.0622
34	H12     0.8504     2.5316    -0.8394	H	1	noname	0.0675
35	H13     3.7983     3.3298    -2.8441	H	1	noname	0.1644
36	H14     4.3790     5.2953    -1.1100	H	1	noname	0.2380
@<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	11	16	1
16	12	15	1
17	13	17	2
18	14	17	1
19	16	18	2
20	18	19	1
21	19	20	2
22	19	21	1
23	21	22	1
24	4	23	1
25	7	24	1
26	8	25	1
27	9	26	1
28	10	27	1
29	12	28	1
30	13	29	1
31	14	30	1
32	15	31	1
33	16	32	1
34	17	33	1
35	18	34	1
36	21	35	1
37	22	36	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1