REMARK Name = BDB064965 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.439 -2.640 0.284 0.00 0.00 +0.055 C ATOM 2 C LIG 1 0.368 -1.291 -0.454 0.00 0.00 +0.109 C ATOM 3 O LIG 1 -0.040 -0.272 0.475 0.00 0.00 -0.486 OA ATOM 4 C LIG 1 -1.380 -0.116 0.691 0.00 0.00 +0.125 A ATOM 5 C LIG 1 -2.375 -0.706 -0.090 0.00 0.00 -0.002 A ATOM 6 C LIG 1 -3.727 -0.489 0.232 0.00 0.00 +0.053 A ATOM 7 C LIG 1 -4.079 0.328 1.308 0.00 0.00 +0.121 A ATOM 8 C LIG 1 -3.072 0.938 2.057 0.00 0.00 +0.049 A ATOM 9 C LIG 1 -2.019 -1.584 -1.252 0.00 0.00 +0.043 C ATOM 10 C LIG 1 -1.728 0.716 1.753 0.00 0.00 +0.049 A ATOM 11 C LIG 1 -0.576 -1.350 -1.671 0.00 0.00 +0.052 C ENDROOT BRANCH 7 12 ATOM 12 O LIG 1 -5.351 0.632 1.707 0.00 0.00 -0.487 OA BRANCH 12 13 ATOM 13 C LIG 1 -6.426 -0.170 1.213 0.00 0.00 +0.264 C BRANCH 13 14 ATOM 14 C LIG 1 -6.981 0.312 -0.111 0.00 0.00 -0.010 A ATOM 15 C LIG 1 -6.927 1.667 -0.477 0.00 0.00 +0.010 A ATOM 16 C LIG 1 -7.467 2.096 -1.691 0.00 0.00 +0.039 A ATOM 17 C LIG 1 -8.072 1.174 -2.535 0.00 0.00 +0.123 A ATOM 18 F LIG 1 -8.591 1.586 -3.699 0.00 0.00 -0.205 F ATOM 19 C LIG 1 -8.152 -0.169 -2.187 0.00 0.00 +0.039 A ATOM 20 C LIG 1 -7.612 -0.600 -0.974 0.00 0.00 +0.010 A ENDBRANCH 13 14 ENDBRANCH 12 13 ENDBRANCH 7 12 BRANCH 2 21 ATOM 21 C LIG 1 1.775 -0.886 -0.966 0.00 0.00 +0.053 C BRANCH 21 22 ATOM 22 C LIG 1 2.827 -0.693 0.129 0.00 0.00 +0.053 C BRANCH 22 23 ATOM 23 C LIG 1 4.115 -0.230 -0.493 0.00 0.00 +0.103 C ATOM 24 N LIG 1 4.573 0.961 -0.265 0.00 0.00 -0.194 NA BRANCH 24 25 ATOM 25 N LIG 1 5.758 1.209 -0.915 0.00 0.00 -0.221 N ATOM 26 H LIG 1 5.846 2.212 -1.111 0.00 0.00 +0.176 HD BRANCH 25 27 ATOM 27 C LIG 1 6.912 0.837 -0.176 0.00 0.00 +0.150 A ATOM 28 C LIG 1 7.264 1.469 1.019 0.00 0.00 +0.097 A ATOM 29 C LIG 1 8.385 0.993 1.725 0.00 0.00 +0.037 A ATOM 30 C LIG 1 9.117 -0.072 1.222 0.00 0.00 +0.060 A ATOM 31 CL LIG 1 10.490 -0.668 2.058 0.00 0.00 -0.082 Cl ATOM 32 C LIG 1 8.707 -0.633 0.029 0.00 0.00 +0.133 A ATOM 33 N LIG 1 7.628 -0.205 -0.669 0.00 0.00 -0.237 NA BRANCH 28 34 ATOM 34 C LIG 1 6.467 2.615 1.561 0.00 0.00 +0.421 C ATOM 35 F LIG 1 5.385 2.233 2.289 0.00 0.00 -0.166 F ATOM 36 F LIG 1 6.020 3.470 0.597 0.00 0.00 -0.166 F ATOM 37 F LIG 1 7.205 3.399 2.404 0.00 0.00 -0.166 F ENDBRANCH 28 34 ENDBRANCH 25 27 ENDBRANCH 24 25 ENDBRANCH 22 23 ENDBRANCH 21 22 ENDBRANCH 2 21 TORSDOF 9