REMARK Name = BDB011886 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.686 -0.180 -1.344 0.00 0.00 +0.237 C ATOM 2 N LIG 1 0.048 -1.085 -0.515 0.00 0.00 -0.284 N ATOM 3 C LIG 1 -1.330 -1.003 0.015 0.00 0.00 +0.193 C ATOM 4 C LIG 1 -2.189 -2.085 -0.642 0.00 0.00 -0.015 A ATOM 5 C LIG 1 -1.601 -3.236 -1.216 0.00 0.00 -0.039 A ATOM 6 C LIG 1 -2.420 -4.205 -1.817 0.00 0.00 +0.024 A ATOM 7 C LIG 1 -3.804 -4.039 -1.839 0.00 0.00 +0.041 A ATOM 8 C LIG 1 -4.389 -2.913 -1.268 0.00 0.00 +0.020 A ATOM 9 CL LIG 1 -4.795 -5.231 -2.589 0.00 0.00 -0.084 Cl ATOM 10 C LIG 1 -0.098 -3.411 -1.259 0.00 0.00 +0.054 C ATOM 11 C LIG 1 -3.586 -1.940 -0.670 0.00 0.00 +0.007 A ATOM 12 C LIG 1 0.639 -2.416 -0.355 0.00 0.00 +0.113 C ATOM 13 O LIG 1 1.851 -0.374 -1.716 0.00 0.00 -0.274 OA ENDROOT BRANCH 3 14 ATOM 14 C LIG 1 -1.315 -1.100 1.573 0.00 0.00 +0.242 C ATOM 15 N LIG 1 -0.514 -0.142 2.183 0.00 0.00 -0.279 N ATOM 16 H LIG 1 -0.376 0.744 1.683 0.00 0.00 +0.155 HD ATOM 17 O LIG 1 -2.023 -1.896 2.196 0.00 0.00 -0.273 OA BRANCH 15 18 ATOM 18 C LIG 1 -0.161 -0.147 3.555 0.00 0.00 +0.105 A ATOM 19 C LIG 1 0.109 1.075 4.182 0.00 0.00 +0.147 A ATOM 20 F LIG 1 -0.005 2.224 3.497 0.00 0.00 -0.203 F ATOM 21 C LIG 1 0.476 1.151 5.527 0.00 0.00 +0.040 A ATOM 22 C LIG 1 0.601 -0.016 6.273 0.00 0.00 +0.006 A ATOM 23 C LIG 1 0.370 -1.251 5.660 0.00 0.00 +0.040 A ATOM 24 C LIG 1 -0.002 -1.312 4.313 0.00 0.00 +0.147 A ATOM 25 F LIG 1 -0.096 -2.523 3.750 0.00 0.00 -0.203 F ENDBRANCH 15 18 ENDBRANCH 3 14 BRANCH 1 26 ATOM 26 C LIG 1 -0.031 1.123 -1.795 0.00 0.00 +0.162 C BRANCH 26 28 ATOM 27 C LIG 1 0.843 2.610 -0.069 0.00 0.00 +0.230 C ATOM 28 N LIG 1 0.845 2.227 -1.395 0.00 0.00 -0.302 N ATOM 29 H LIG 1 1.742 2.250 -1.863 0.00 0.00 +0.150 HD ATOM 30 O LIG 1 0.013 2.147 0.721 0.00 0.00 -0.274 OA BRANCH 27 31 ATOM 31 C LIG 1 1.892 3.676 0.362 0.00 0.00 +0.137 C ATOM 32 C LIG 1 3.153 3.750 -0.500 0.00 0.00 +0.034 C BRANCH 31 34 ATOM 33 C LIG 1 3.020 2.324 2.093 0.00 0.00 +0.101 C ATOM 34 N LIG 1 2.211 3.503 1.802 0.00 0.00 -0.309 NA ATOM 35 H LIG 1 1.316 3.409 2.296 0.00 0.00 +0.122 HD ENDBRANCH 31 34 ENDBRANCH 27 31 ENDBRANCH 26 28 BRANCH 26 36 ATOM 36 C LIG 1 -0.347 1.151 -3.312 0.00 0.00 +0.012 C ATOM 37 C LIG 1 -1.373 0.073 -3.679 0.00 0.00 +0.009 C ATOM 38 C LIG 1 0.874 1.034 -4.231 0.00 0.00 +0.009 C ENDBRANCH 26 36 ENDBRANCH 1 26 TORSDOF 7