REMARK Name = BDB035669 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.329 0.608 1.879 0.00 0.00 -0.263 N ATOM 2 C LIG 1 0.376 -0.210 0.990 0.00 0.00 +0.251 C ATOM 3 O LIG 1 0.029 -0.754 -0.042 0.00 0.00 -0.270 OA ATOM 4 C LIG 1 1.731 -0.365 1.534 0.00 0.00 +0.044 A ATOM 5 C LIG 1 1.807 0.336 2.730 0.00 0.00 +0.001 A ATOM 6 C LIG 1 2.988 0.348 3.444 0.00 0.00 +0.047 A ATOM 7 C LIG 1 4.091 -0.353 2.943 0.00 0.00 +0.025 A ATOM 8 C LIG 1 4.005 -1.071 1.728 0.00 0.00 -0.031 A ATOM 9 CL LIG 1 3.119 1.206 4.926 0.00 0.00 -0.083 Cl ATOM 10 C LIG 1 2.800 -1.069 1.009 0.00 0.00 +0.018 A ATOM 11 C LIG 1 0.498 0.982 3.021 0.00 0.00 +0.151 C ENDROOT BRANCH 1 14 ATOM 12 C LIG 1 -3.763 1.190 0.454 0.00 0.00 -0.035 A ATOM 13 C LIG 1 -2.424 0.775 0.589 0.00 0.00 +0.028 A ATOM 14 C LIG 1 -1.675 1.046 1.744 0.00 0.00 +0.037 A ATOM 15 C LIG 1 -2.299 1.773 2.768 0.00 0.00 +0.023 A ATOM 16 C LIG 1 -3.626 2.196 2.651 0.00 0.00 +0.002 A ATOM 17 C LIG 1 -4.356 1.904 1.503 0.00 0.00 +0.004 A BRANCH 12 18 ATOM 18 C LIG 1 -4.528 0.867 -0.827 0.00 0.00 +0.090 C BRANCH 18 21 ATOM 19 C LIG 1 -4.947 -2.054 0.145 0.00 0.00 +0.151 C ATOM 20 N LIG 1 -5.987 -1.096 -0.119 0.00 0.00 -0.320 N ATOM 21 C LIG 1 -5.847 0.203 -0.546 0.00 0.00 +0.141 A ATOM 22 N LIG 1 -7.052 0.733 -0.641 0.00 0.00 -0.134 NA ATOM 23 N LIG 1 -7.977 -0.217 -0.286 0.00 0.00 -0.138 NA ATOM 24 C LIG 1 -7.322 -1.309 0.027 0.00 0.00 +0.224 A ENDBRANCH 18 21 BRANCH 18 25 ATOM 25 C LIG 1 -4.574 2.128 -1.704 0.00 0.00 +0.009 C ATOM 26 C LIG 1 -5.453 3.363 -1.355 0.00 0.00 +0.041 C ATOM 27 C LIG 1 -5.653 3.570 -2.873 0.00 0.00 +0.167 C ATOM 28 F LIG 1 -4.771 4.414 -3.461 0.00 0.00 -0.245 F ATOM 29 C LIG 1 -5.340 2.067 -3.054 0.00 0.00 +0.041 C ENDBRANCH 18 25 ENDBRANCH 12 18 ENDBRANCH 1 14 BRANCH 8 30 ATOM 30 C LIG 1 5.209 -1.806 1.183 0.00 0.00 +0.117 C BRANCH 30 31 ATOM 31 N LIG 1 5.825 -1.031 0.109 0.00 0.00 -0.307 NA ATOM 32 H LIG 1 6.134 -0.133 0.479 0.00 0.00 +0.123 HD BRANCH 31 33 ATOM 33 C LIG 1 6.876 -1.778 -0.597 0.00 0.00 +0.017 C ATOM 34 C LIG 1 6.229 -2.846 -1.524 0.00 0.00 +0.022 C ATOM 35 C LIG 1 7.129 -2.315 -2.659 0.00 0.00 +0.004 C ATOM 36 C LIG 1 7.200 -0.977 -1.893 0.00 0.00 +0.022 C ATOM 37 C LIG 1 8.074 -2.161 0.252 0.00 0.00 +0.027 C ENDBRANCH 31 33 ENDBRANCH 30 31 ENDBRANCH 8 30 TORSDOF 7