@<TRIPOS>MOLECULE
DB02158
39 41 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	S1     5.7845     1.0037    -0.3011	S.3	1	noname	-0.1636
2	C1     4.2576     0.7822    -1.2283	C.3	1	noname	0.0111
3	C2     6.3268     2.7146    -0.4380	C.3	1	noname	-0.0183
4	C3     3.7967    -0.6721    -1.1120	C.3	1	noname	0.0452
5	N1     3.5660    -0.9972     0.2870	N.3	1	noname	-0.3013
6	C4     2.4299    -0.8314    -1.7915	C.3	1	noname	0.0979
7	C5     2.5971    -2.0805     0.1933	C.3	1	noname	0.0648
8	O1     2.5725    -1.6228    -2.9618	O.3	1	noname	-0.3886
9	C6     1.5437    -1.5682    -0.7814	C.3	1	noname	0.1011
10	C7     2.0885    -2.4329     1.5142	C.2	1	noname	0.0102
11	O2     0.9137    -2.6693    -1.4193	O.3	1	noname	-0.3882
12	C8     1.4433    -1.6051     2.4277	C.2	1	noname	0.0306
13	C9     2.2352    -3.6803     2.1232	C.2	1	noname	-0.0884
14	N2     1.0698    -0.3324     2.3307	N.2	1	noname	-0.2312
15	C10     1.2148    -2.3829     3.5541	C.2	1	noname	-0.0567
16	N3     1.6944    -3.6242     3.3595	N.3	1	noname	-0.0669
17	C11     0.4472     0.2399     3.3114	C.2	1	noname	-0.0598
18	C12     0.5212    -1.7926     4.7210	C.3	1	noname	0.1012
19	N4     0.1670    -0.4139     4.4558	N.3	1	noname	-0.1197
20	N5     1.3967    -1.8497     5.8914	N.3	1	noname	-0.3107
21	H1     3.4579     1.3493    -0.7520	H	1	noname	0.0397
22	H2     4.4570     0.9095    -2.2923	H	1	noname	0.0397
23	H3     6.4598     3.1344     0.5591	H	1	noname	0.0343
24	H4     7.2728     2.7538    -0.9779	H	1	noname	0.0343
25	H5     5.5760     3.2916    -0.9779	H	1	noname	0.0343
26	H6     4.5656    -1.3281    -1.5200	H	1	noname	0.0501
27	H7     3.9734    -0.5787     1.1110	H	1	noname	0.1233
28	H8     2.0029     0.1063    -2.1471	H	1	noname	0.0645
29	H9     3.0442    -3.0177    -0.1382	H	1	noname	0.0545
30	H10     2.5436    -2.5527    -2.7248	H	1	noname	0.2106
31	H11     0.7108    -1.0105    -0.3532	H	1	noname	0.0648
32	H12     0.5697    -3.2703    -0.7544	H	1	noname	0.2106
33	H13     2.7030    -4.5675     1.6962	H	1	noname	0.0793
34	H14     1.6552    -4.3822     4.0258	H	1	noname	0.1520
35	H15     0.1563     1.2812     3.1724	H	1	noname	0.0972
36	H16    -0.3972    -2.3454     4.9188	H	1	noname	0.0704
37	H17    -0.3242     0.1476     5.1366	H	1	noname	0.1310
38	H18     2.3994    -1.8694     5.7715	H	1	noname	0.1203
39	H19     0.9986    -1.8694     6.8194	H	1	noname	0.1203
@<TRIPOS>BOND
1	1	2	1
2	1	3	1
3	4	2	1
4	4	5	1
5	4	6	1
6	5	7	1
7	6	8	1
8	6	9	1
9	7	10	1
10	7	9	1
11	9	11	1
12	10	12	1
13	10	13	2
14	12	14	1
15	12	15	2
16	13	16	1
17	14	17	2
18	15	18	1
19	15	16	1
20	17	19	1
21	18	20	1
22	18	19	1
23	2	21	1
24	2	22	1
25	3	23	1
26	3	24	1
27	3	25	1
28	4	26	1
29	5	27	1
30	6	28	1
31	7	29	1
32	8	30	1
33	9	31	1
34	11	32	1
35	13	33	1
36	16	34	1
37	17	35	1
38	18	36	1
39	19	37	1
40	20	38	1
41	20	39	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1