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XLW.mol2
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@<TRIPOS>MOLECULE
XLW
35 37 1 0 0
SMALL
abcg2
@<TRIPOS>ATOM
1 N1 -9.6140 -56.2430 -26.5560 nu 1 XLW -0.877100
2 N3 -11.4620 -53.8360 -27.1390 nb 1 XLW -0.170000
3 C4 -10.5370 -56.1110 -24.2250 ca 1 XLW -0.171300
4 C5 -11.3730 -55.2170 -23.5670 ca 1 XLW -0.038000
5 C6 -11.1950 -54.8780 -22.2290 ca 1 XLW -0.185000
6 C7 -10.7650 -56.4590 -25.6780 c3 1 XLW 0.276100
7 C8 -8.7860 -55.1480 -26.5320 ca 1 XLW 0.640900
8 C10 -6.8570 -53.1760 -26.3690 ca 1 XLW -0.225000
9 C13 -10.5920 -53.3430 -26.2430 cp 1 XLW 0.198500
10 C15 -12.3140 -51.9310 -25.4050 ca 1 XLW 0.097900
11 C1 -10.1400 -55.4670 -21.5610 ca 1 XLW 0.212000
12 C2 -9.2830 -56.3730 -22.1580 ca 1 XLW -0.245000
13 C3 -9.4940 -56.7000 -23.4950 ca 1 XLW 0.174100
14 F -9.9290 -55.1560 -20.2560 f 1 XLW -0.180000
15 O -8.7090 -57.6060 -24.1380 oh 1 XLW -0.536100
16 N2 -7.4940 -55.4450 -26.7690 nb 1 XLW -0.756000
17 C9 -6.5720 -54.4920 -26.7070 ca 1 XLW 0.398900
18 C11 -8.1880 -52.8490 -26.1700 ca 1 XLW -0.024000
19 C12 -9.1940 -53.8090 -26.2870 cp 1 XLW -0.261500
20 C14 -12.7020 -53.3530 -27.1180 ca 1 XLW 0.110900
21 N4 -13.1830 -52.4200 -26.2990 nb 1 XLW -0.177000
22 C16 -11.0030 -52.3620 -25.3350 ca 1 XLW -0.217000
23 H1 -9.0590 -57.0780 -26.6770 hn 1 XLW 0.480000
24 H2 -12.1920 -54.7700 -24.1160 ha 1 XLW 0.121000
25 H3 -11.8460 -54.1780 -21.7250 ha 1 XLW 0.138000
26 H4 -11.6290 -55.9080 -26.0420 h1 1 XLW 0.066700
27 H5 -11.0000 -57.5200 -25.7730 h1 1 XLW 0.066700
28 H6 -6.0740 -52.4340 -26.3020 ha 1 XLW 0.127000
29 H7 -12.6860 -51.1780 -24.7200 h4 1 XLW 0.025100
30 H8 -8.4760 -56.8220 -21.5920 ha 1 XLW 0.135000
31 H9 -8.0370 -57.9580 -23.5380 ho 1 XLW 0.473000
32 H10 -5.5550 -54.7960 -26.9320 h4 1 XLW 0.018100
33 H11 -8.4660 -51.8220 -25.9710 ha 1 XLW 0.116000
34 H12 -13.3910 -53.7640 -27.8490 h5 1 XLW 0.051100
35 H13 -10.3310 -51.9680 -24.5870 ha 1 XLW 0.136000
@<TRIPOS>BOND
1 1 6 1
2 1 7 1
3 1 23 1
4 2 9 ar
5 2 20 ar
6 3 4 ar
7 3 6 1
8 3 13 ar
9 4 5 ar
10 4 24 1
11 5 11 ar
12 5 25 1
13 6 26 1
14 6 27 1
15 7 16 ar
16 7 19 ar
17 8 17 ar
18 8 18 ar
19 8 28 1
20 9 19 1
21 9 22 ar
22 10 21 ar
23 10 22 ar
24 10 29 1
25 11 12 ar
26 11 14 1
27 12 13 ar
28 12 30 1
29 13 15 1
30 15 31 1
31 16 17 ar
32 17 32 1
33 18 19 ar
34 18 33 1
35 20 21 ar
36 20 34 1
37 22 35 1
@<TRIPOS>SUBSTRUCTURE
1 XLW 1 TEMP 0 **** **** 0 ROOT