REMARK Name = BDB040775 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.922 0.302 0.286 0.00 0.00 -0.323 N ATOM 2 C LIG 1 -0.071 1.478 0.158 0.00 0.00 +0.129 C ATOM 3 C LIG 1 0.553 0.840 -1.087 0.00 0.00 +0.109 C ATOM 4 C LIG 1 -0.046 -0.472 -0.570 0.00 0.00 +0.129 C ENDROOT BRANCH 1 11 ATOM 5 C LIG 1 -3.053 0.397 -1.055 0.00 0.00 +0.176 A ATOM 6 C LIG 1 -4.456 0.506 -1.008 0.00 0.00 +0.170 A ATOM 7 F LIG 1 -5.157 0.556 -2.150 0.00 0.00 -0.201 F ATOM 8 C LIG 1 -5.179 0.606 0.199 0.00 0.00 +0.003 A ATOM 9 C LIG 1 -4.439 0.666 1.384 0.00 0.00 +0.009 A ATOM 10 C LIG 1 -3.046 0.566 1.359 0.00 0.00 +0.027 A ATOM 11 C LIG 1 -2.336 0.414 0.156 0.00 0.00 +0.075 A BRANCH 8 12 ATOM 12 C LIG 1 -6.701 0.727 0.161 0.00 0.00 +0.109 C ATOM 13 C LIG 1 -7.362 -0.330 -0.725 0.00 0.00 +0.227 C ATOM 14 O LIG 1 -7.763 -0.101 -1.864 0.00 0.00 -0.275 OA ATOM 15 N LIG 1 -7.543 -1.567 -0.162 0.00 0.00 -0.256 N ATOM 16 H LIG 1 -7.989 -2.230 -0.783 0.00 0.00 +0.157 HD ATOM 17 C LIG 1 -7.904 -1.750 1.146 0.00 0.00 +0.219 C ATOM 18 O LIG 1 -8.570 -2.722 1.491 0.00 0.00 -0.275 OA ATOM 19 C LIG 1 -7.432 -0.706 2.127 0.00 0.00 +0.097 C ATOM 20 C LIG 1 -7.445 0.687 1.506 0.00 0.00 +0.027 C ENDBRANCH 8 12 BRANCH 5 22 ATOM 21 C LIG 1 -2.994 0.114 -3.436 0.00 0.00 +0.277 C ATOM 22 O LIG 1 -2.311 0.321 -2.207 0.00 0.00 -0.490 OA ENDBRANCH 5 22 ENDBRANCH 1 11 BRANCH 3 23 ATOM 23 N LIG 1 1.985 0.884 -1.208 0.00 0.00 -0.292 N ATOM 24 H LIG 1 2.319 0.832 -2.164 0.00 0.00 +0.151 HD BRANCH 23 25 ATOM 25 C LIG 1 2.887 0.561 -0.266 0.00 0.00 +0.308 A ATOM 26 O LIG 1 4.174 0.436 -0.707 0.00 0.00 -0.405 OA ATOM 27 C LIG 1 4.839 0.108 0.445 0.00 0.00 +0.250 A ATOM 28 N LIG 1 4.037 0.034 1.487 0.00 0.00 -0.106 NA ATOM 29 N LIG 1 2.772 0.329 1.022 0.00 0.00 -0.092 NA BRANCH 27 30 ATOM 30 C LIG 1 6.278 -0.106 0.354 0.00 0.00 +0.039 A ATOM 31 C LIG 1 6.971 0.002 -0.857 0.00 0.00 +0.017 A ATOM 32 C LIG 1 8.353 -0.211 -0.908 0.00 0.00 +0.047 A ATOM 33 C LIG 1 9.072 -0.535 0.245 0.00 0.00 +0.130 A ATOM 34 C LIG 1 8.391 -0.645 1.456 0.00 0.00 +0.047 A ATOM 35 C LIG 1 7.006 -0.433 1.507 0.00 0.00 +0.017 A BRANCH 33 36 ATOM 36 O LIG 1 10.411 -0.713 0.044 0.00 0.00 -0.406 OA BRANCH 36 37 ATOM 37 C LIG 1 11.211 -1.045 1.166 0.00 0.00 +0.575 C ATOM 38 F LIG 1 11.168 -0.070 2.100 0.00 0.00 -0.133 F ATOM 39 F LIG 1 12.492 -1.180 0.759 0.00 0.00 -0.133 F ATOM 40 F LIG 1 10.819 -2.214 1.716 0.00 0.00 -0.133 F ENDBRANCH 36 37 ENDBRANCH 33 36 ENDBRANCH 27 30 ENDBRANCH 23 25 ENDBRANCH 3 23 TORSDOF 8