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X19.mol2
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@<TRIPOS>MOLECULE
X19
41 42 1 0 0
SMALL
abcg2
@<TRIPOS>ATOM
1 N01 2.6930 -1.6230 -0.0360 na 1 X19 0.000800
2 N02 1.7670 -2.5680 -0.0350 nc 1 X19 -0.500800
3 N03 4.2050 0.8180 0.3380 ns 1 X19 -0.509900
4 C04 0.6130 -1.9220 -0.0910 cd 1 X19 0.239300
5 C05 0.8030 -0.5330 -0.1530 cd 1 X19 -0.114300
6 C06 2.1740 -0.3750 -0.1170 cc 1 X19 -0.227600
7 C07 -0.7330 -2.5610 -0.0930 c6 1 X19 -0.101700
8 C08 -1.7630 -1.5510 -0.5990 c6 1 X19 -0.073400
9 C09 -1.6520 -0.2050 0.1340 c6 1 X19 -0.052700
10 C10 -0.3100 0.4610 -0.2130 c6 1 X19 0.003900
11 C11 -2.8770 0.7280 -0.0850 c3 1 X19 -0.035000
12 C12 2.9610 0.8730 -0.1620 c 1 X19 0.635700
13 C13 5.0770 1.9690 0.3410 c3 1 X19 0.093300
14 C14 -2.5960 2.1020 0.5330 c3 1 X19 -0.085600
15 C15 -3.1730 0.9110 -1.5760 c3 1 X19 -0.085600
16 C16 -4.0970 0.0950 0.6190 c3 1 X19 -0.069400
17 C17 -5.3750 0.9250 0.6370 c3 1 X19 -0.088100
18 O18 2.4790 1.8910 -0.6410 o 1 X19 -0.581100
19 HN01 3.6640 -1.8900 -0.0850 hn 1 X19 0.371000
20 HN03 4.4950 0.0150 0.8710 hn 1 X19 0.311500
21 H07 -0.7350 -3.4590 -0.7140 hc 1 X19 0.056200
22 H07A -1.0000 -2.8800 0.9200 hc 1 X19 0.056200
23 H08 -1.6180 -1.3960 -1.6730 hc 1 X19 0.045200
24 H08A -2.7580 -1.9810 -0.4810 hc 1 X19 0.045200
25 H09 -1.6250 -0.4250 1.2110 hc 1 X19 0.045700
26 H10 -0.1030 1.2820 0.4730 hc 1 X19 0.062200
27 H10A -0.3510 0.9070 -1.2110 hc 1 X19 0.062200
28 H13 5.2360 2.3450 -0.6700 h1 1 X19 0.043033
29 H13A 4.6800 2.7830 0.9500 h1 1 X19 0.043033
30 H13B 6.0370 1.6700 0.7500 h1 1 X19 0.043033
31 H14 -1.7790 2.6180 0.0270 hc 1 X19 0.033700
32 H14A -3.4690 2.7510 0.4520 hc 1 X19 0.033700
33 H14B -2.3380 2.0220 1.5920 hc 1 X19 0.033700
34 H15 -3.5000 -0.0190 -2.0440 hc 1 X19 0.033700
35 H15A -3.9610 1.6490 -1.7320 hc 1 X19 0.033700
36 H15B -2.2960 1.2640 -2.1220 hc 1 X19 0.033700
37 H16 -4.3270 -0.8600 0.1400 hc 1 X19 0.036200
38 H16A -3.8170 -0.1430 1.6500 hc 1 X19 0.036200
39 H17 -5.2760 1.8310 1.2360 hc 1 X19 0.031033
40 H17A -5.6870 1.2220 -0.3650 hc 1 X19 0.031033
41 H17B -6.1920 0.3450 1.0690 hc 1 X19 0.031033
@<TRIPOS>BOND
1 1 2 1
2 1 6 1
3 1 19 1
4 2 4 2
5 3 12 1
6 3 13 1
7 3 20 1
8 4 5 1
9 4 7 1
10 5 6 2
11 5 10 1
12 6 12 1
13 7 8 1
14 7 21 1
15 7 22 1
16 8 9 1
17 8 23 1
18 8 24 1
19 9 10 1
20 9 11 1
21 9 25 1
22 10 26 1
23 10 27 1
24 11 14 1
25 11 15 1
26 11 16 1
27 12 18 2
28 13 28 1
29 13 29 1
30 13 30 1
31 14 31 1
32 14 32 1
33 14 33 1
34 15 34 1
35 15 35 1
36 15 36 1
37 16 17 1
38 16 37 1
39 16 38 1
40 17 39 1
41 17 40 1
42 17 41 1
@<TRIPOS>SUBSTRUCTURE
1 X19 1 TEMP 0 **** **** 0 ROOT