@<TRIPOS>MOLECULE
DB01035
38 38 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1    -1.4455    -1.7613    -0.0770	O.2	1	noname	-0.2969
2	C1    -0.3611    -1.1687     0.1113	C.2	1	noname	0.0048
3	N1     0.7569    -1.8725     0.3354	N.3	1	noname	-0.0775
4	C2    -0.3150     0.2204     0.0882	C.2	1	noname	-0.0459
5	C3     0.9069    -3.1561    -0.2286	C.3	1	noname	0.0158
6	C4     0.8908     0.8793     0.2976	C.2	1	noname	-0.0204
7	C5    -1.4748     0.9505    -0.1443	C.2	1	noname	-0.0204
8	C6     2.2623    -3.7371     0.1791	C.3	1	noname	0.0112
9	C7     0.9369     2.2683     0.2745	C.2	1	noname	-0.0554
10	C8    -1.4286     2.3395    -0.1674	C.2	1	noname	-0.0554
11	N2     2.4178    -5.0680    -0.4056	N.3	1	noname	-0.3025
12	C9    -0.2228     2.9984     0.0420	C.2	1	noname	-0.0188
13	C10     3.7129    -5.6232    -0.0161	C.3	1	noname	-0.0046
14	C11     1.3485    -5.9404     0.0771	C.3	1	noname	-0.0046
15	N3    -0.1784     4.3375     0.0197	N.3	1	noname	-0.1529
16	C12     4.8320    -4.7102    -0.5212	C.3	1	noname	-0.0524
17	C13     1.5112    -7.3332    -0.5349	C.3	1	noname	-0.0524
18	H1     1.4673    -1.4471     0.9138	H	1	noname	0.1313
19	H2     0.1255    -3.7644     0.2270	H	1	noname	0.0446
20	H3     0.9155    -2.9981    -1.3070	H	1	noname	0.0446
21	H4     1.8003     0.3068     0.4799	H	1	noname	0.0631
22	H5    -2.4203     0.4337    -0.3084	H	1	noname	0.0631
23	H6     3.0356    -3.1175    -0.2749	H	1	noname	0.0443
24	H7     2.2457    -3.8838     1.2591	H	1	noname	0.0443
25	H8     1.8825     2.7851     0.4387	H	1	noname	0.0639
26	H9    -2.3381     2.9120    -0.3497	H	1	noname	0.0639
27	H10     3.7348    -5.5982     1.0734	H	1	noname	0.0427
28	H11     3.8021    -6.5741    -0.5413	H	1	noname	0.0427
29	H12     1.4999    -6.0340     1.1524	H	1	noname	0.0427
30	H13     0.4201    -5.5185    -0.3079	H	1	noname	0.0427
31	H14     0.7126     4.8132     0.0113	H	1	noname	0.1242
32	H15    -1.0358     4.8712     0.0113	H	1	noname	0.1242
33	H16     5.3606    -4.2789     0.3288	H	1	noname	0.0243
34	H17     5.5288    -5.2903    -1.1262	H	1	noname	0.0243
35	H18     4.4036    -3.9111    -1.1262	H	1	noname	0.0243
36	H19     1.5976    -8.0722     0.2616	H	1	noname	0.0243
37	H20     0.6421    -7.5631    -1.1512	H	1	noname	0.0243
38	H21     2.4100    -7.3565    -1.1512	H	1	noname	0.0243
@<TRIPOS>BOND
1	1	2	2
2	2	3	1
3	2	4	1
4	3	5	1
5	4	6	2
6	4	7	1
7	5	8	1
8	6	9	1
9	7	10	2
10	8	11	1
11	9	12	2
12	10	12	1
13	11	13	1
14	11	14	1
15	12	15	1
16	13	16	1
17	14	17	1
18	3	18	1
19	5	19	1
20	5	20	1
21	6	21	1
22	7	22	1
23	8	23	1
24	8	24	1
25	9	25	1
26	10	26	1
27	13	27	1
28	13	28	1
29	14	29	1
30	14	30	1
31	15	31	1
32	15	32	1
33	16	33	1
34	16	34	1
35	16	35	1
36	17	36	1
37	17	37	1
38	17	38	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1