@<TRIPOS>MOLECULE
91936889
35 36 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     1.2413    -1.1778    -0.8307	O.3	1	noname	-0.2698
2	O2     4.2015    -2.0828     1.0983	O.3	1	noname	-0.3901
3	O3     7.0772    -2.3697    -1.2167	O.3	1	noname	-0.2068
4	N1     5.3240    -3.8397    -2.3713	N.3	1	noname	-0.1272
5	N2     5.8584    -2.2332    -0.9065	N.2	1	noname	-0.2118
6	C1     3.4584    -1.7128    -0.0538	C.3	1	noname	0.0845
7	C2     1.9843    -1.5478     0.3214	C.3	1	noname	0.0798
8	C3     3.5946    -2.8017    -1.1199	C.3	1	noname	0.0306
9	C4    -0.9223    -2.1192    -0.5777	C.2	1	noname	-0.0189
10	C5    -0.0594    -1.0322    -0.4997	C.2	1	noname	0.0118
11	C6    -2.2615    -1.9693    -0.2369	C.2	1	noname	-0.0346
12	C7    -0.5357     0.2046    -0.0808	C.2	1	noname	-0.0260
13	C8    -0.4460    -3.3560    -0.9966	C.2	1	noname	-0.0367
14	C9    -2.7378    -0.7324     0.1820	C.2	1	noname	-0.0590
15	C10    -3.1244    -3.0562    -0.3150	C.2	1	noname	-0.0456
16	C11     4.9723    -2.9559    -1.4705	C.2	1	noname	-0.0291
17	C12    -1.8749     0.3545     0.2600	C.2	1	noname	-0.0472
18	C13    -1.3089    -4.4429    -1.0747	C.2	1	noname	-0.0544
19	C14    -2.6481    -4.2930    -0.7339	C.2	1	noname	-0.0564
20	H1     3.8412    -0.7705    -0.4459	H	1	noname	0.0629
21	H2     1.6016    -2.4900     0.7135	H	1	noname	0.0599
22	H3     1.8874    -0.7720     1.0809	H	1	noname	0.0599
23	H4     3.0242    -2.5177    -2.0042	H	1	noname	0.0371
24	H5     3.2118    -3.7440    -0.7278	H	1	noname	0.0371
25	H6     0.0975     1.0022    -0.0235	H	1	noname	0.0650
26	H7     0.5367    -3.4660    -1.2467	H	1	noname	0.0630
27	H8    -3.7205    -0.6224     0.4321	H	1	noname	0.0629
28	H9    -4.1071    -2.9462    -0.0649	H	1	noname	0.0629
29	H10    -2.2245     1.2621     0.5674	H	1	noname	0.0623
30	H11    -0.9593    -5.3505    -1.3821	H	1	noname	0.0622
31	H12    -3.2813    -5.0906    -0.7911	H	1	noname	0.0622
32	H13     4.1143    -1.3853     1.7812	H	1	noname	0.2105
33	H14     4.5351    -4.3002    -2.6977	H	1	noname	0.1255
34	H15     5.7651    -3.3911    -3.1095	H	1	noname	0.1255
35	H16     7.6195    -1.7426    -0.6940	H	1	noname	0.2481
@<TRIPOS>BOND
1	1	7	1
2	1	10	1
3	6	2	1
4	2	32	1
5	3	5	1
6	3	35	1
7	4	16	1
8	4	33	1
9	4	34	1
10	5	16	2
11	6	7	1
12	6	8	1
13	6	20	1
14	7	21	1
15	7	22	1
16	8	16	1
17	8	23	1
18	8	24	1
19	9	10	1
20	9	11	1
21	9	13	2
22	10	12	2
23	11	14	1
24	11	15	2
25	12	17	1
26	12	25	1
27	13	18	1
28	13	26	1
29	14	17	2
30	14	27	1
31	15	19	1
32	15	28	1
33	17	29	1
34	18	19	2
35	18	30	1
36	19	31	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1