REMARK Name = BDB050761 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.562 0.075 0.106 0.00 0.00 -0.023 A ATOM 2 C LIG 1 -1.225 1.022 -0.691 0.00 0.00 +0.019 A ATOM 3 C LIG 1 -2.613 0.900 -0.889 0.00 0.00 +0.020 A ATOM 4 C LIG 1 -3.596 1.617 -1.602 0.00 0.00 +0.143 A ATOM 5 N LIG 1 -4.813 1.086 -1.478 0.00 0.00 -0.178 NA ATOM 6 N LIG 1 -4.618 0.024 -0.666 0.00 0.00 -0.259 N ATOM 7 C LIG 1 -3.305 -0.148 -0.286 0.00 0.00 +0.069 A ATOM 8 C LIG 1 -2.663 -1.099 0.520 0.00 0.00 +0.028 A ATOM 9 C LIG 1 -1.282 -0.964 0.706 0.00 0.00 +0.010 A ENDROOT BRANCH 1 14 ATOM 10 N LIG 1 4.067 -0.049 -1.337 0.00 0.00 -0.222 N ATOM 11 C LIG 1 3.285 0.117 -0.218 0.00 0.00 +0.261 C ATOM 12 O LIG 1 3.690 0.312 0.919 0.00 0.00 -0.269 OA ATOM 13 C LIG 1 1.844 0.015 -0.571 0.00 0.00 +0.080 C ATOM 14 C LIG 1 0.881 0.175 0.347 0.00 0.00 +0.028 C ATOM 15 S LIG 1 1.674 -0.358 -2.237 0.00 0.00 -0.026 S ATOM 16 C LIG 1 3.408 -0.420 -2.483 0.00 0.00 +0.286 C ATOM 17 O LIG 1 3.908 -0.779 -3.537 0.00 0.00 -0.262 OA BRANCH 10 23 ATOM 18 C LIG 1 9.232 -0.132 0.495 0.00 0.00 +0.105 C ATOM 19 N LIG 1 7.848 -0.596 0.587 0.00 0.00 -0.302 NA ATOM 20 C LIG 1 6.906 0.519 0.794 0.00 0.00 +0.123 C ATOM 21 C LIG 1 6.195 1.027 -0.467 0.00 0.00 +0.201 C ATOM 22 F LIG 1 7.134 1.623 -1.269 0.00 0.00 -0.242 F ATOM 23 C LIG 1 5.535 -0.106 -1.279 0.00 0.00 +0.122 C ATOM 24 C LIG 1 6.014 -1.495 -0.828 0.00 0.00 +0.041 C ATOM 25 C LIG 1 7.514 -1.460 -0.551 0.00 0.00 +0.086 C ENDBRANCH 10 23 ENDBRANCH 1 14 BRANCH 6 26 ATOM 26 C LIG 1 -5.758 -0.818 -0.316 0.00 0.00 +0.179 C BRANCH 26 27 ATOM 27 C LIG 1 -6.676 -0.141 0.688 0.00 0.00 -0.014 A ATOM 28 C LIG 1 -8.021 0.190 0.385 0.00 0.00 +0.061 A ATOM 29 C LIG 1 -8.808 0.826 1.367 0.00 0.00 +0.032 A ATOM 30 C LIG 1 -8.283 1.120 2.623 0.00 0.00 +0.042 A ATOM 31 CL LIG 1 -9.267 1.893 3.802 0.00 0.00 -0.084 Cl ATOM 32 C LIG 1 -6.971 0.785 2.930 0.00 0.00 +0.020 A ATOM 33 C LIG 1 -6.174 0.158 1.971 0.00 0.00 +0.007 A BRANCH 28 34 ATOM 34 C LIG 1 -8.651 -0.129 -0.956 0.00 0.00 +0.418 C ATOM 35 F LIG 1 -8.058 0.514 -1.994 0.00 0.00 -0.166 F ATOM 36 F LIG 1 -9.974 0.190 -1.026 0.00 0.00 -0.166 F ATOM 37 F LIG 1 -8.582 -1.460 -1.245 0.00 0.00 -0.166 F ENDBRANCH 28 34 ENDBRANCH 26 27 ENDBRANCH 6 26 TORSDOF 5