REMARK Name = BDB020015 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.093 0.238 1.466 0.00 0.00 -0.013 A ATOM 2 C LIG 1 0.216 0.649 1.191 0.00 0.00 +0.021 A ATOM 3 C LIG 1 1.193 -0.294 0.851 0.00 0.00 +0.038 A ATOM 4 C LIG 1 0.872 -1.657 0.832 0.00 0.00 +0.018 A ATOM 5 C LIG 1 -0.432 -2.085 1.121 0.00 0.00 -0.029 A ATOM 6 C LIG 1 -1.409 -1.125 1.434 0.00 0.00 +0.013 A ENDROOT BRANCH 1 10 ATOM 7 N LIG 1 -3.734 2.254 2.826 0.00 0.00 -0.271 N ATOM 8 N LIG 1 -3.523 3.018 1.742 0.00 0.00 -0.167 NA ATOM 9 C LIG 1 -2.541 2.384 1.066 0.00 0.00 +0.173 A ATOM 10 C LIG 1 -2.114 1.220 1.773 0.00 0.00 +0.032 A ATOM 11 C LIG 1 -2.911 1.170 2.896 0.00 0.00 +0.117 A BRANCH 9 12 ATOM 12 C LIG 1 -2.011 2.874 -0.254 0.00 0.00 +0.437 C ATOM 13 F LIG 1 -2.701 3.924 -0.769 0.00 0.00 -0.164 F ATOM 14 F LIG 1 -2.029 1.897 -1.204 0.00 0.00 -0.164 F ATOM 15 F LIG 1 -0.712 3.278 -0.158 0.00 0.00 -0.164 F ENDBRANCH 9 12 BRANCH 7 17 ATOM 16 C LIG 1 -4.256 3.584 4.835 0.00 0.00 +0.029 C ATOM 17 C LIG 1 -4.766 2.620 3.778 0.00 0.00 +0.140 C ENDBRANCH 7 17 ENDBRANCH 1 10 BRANCH 3 18 ATOM 18 C LIG 1 2.589 0.103 0.517 0.00 0.00 +0.244 C ATOM 19 N LIG 1 2.764 1.375 0.011 0.00 0.00 -0.307 N ATOM 20 H LIG 1 1.958 1.913 -0.280 0.00 0.00 +0.149 HD ATOM 21 O LIG 1 3.506 -0.698 0.662 0.00 0.00 -0.270 OA BRANCH 19 22 ATOM 22 C LIG 1 4.056 1.818 -0.464 0.00 0.00 +0.141 C BRANCH 22 23 ATOM 23 C LIG 1 4.137 1.572 -1.946 0.00 0.00 -0.014 A ATOM 24 C LIG 1 4.766 0.504 -2.466 0.00 0.00 +0.094 A ATOM 25 N LIG 1 4.860 0.305 -3.833 0.00 0.00 -0.318 N ATOM 26 C LIG 1 5.537 -0.887 -4.314 0.00 0.00 +0.152 C ATOM 27 C LIG 1 4.301 1.189 -4.756 0.00 0.00 +0.251 A ATOM 28 O LIG 1 4.336 1.058 -5.979 0.00 0.00 -0.268 OA ATOM 29 C LIG 1 3.615 2.376 -4.177 0.00 0.00 +0.070 A ATOM 30 C LIG 1 3.546 2.542 -2.848 0.00 0.00 +0.012 A ENDBRANCH 22 23 ENDBRANCH 19 22 ENDBRANCH 3 18 BRANCH 5 31 ATOM 31 C LIG 1 -0.789 -3.554 1.103 0.00 0.00 +0.142 C BRANCH 31 32 ATOM 32 N LIG 1 -1.815 -3.818 0.108 0.00 0.00 -0.305 N ATOM 33 C LIG 1 -2.860 -4.650 0.379 0.00 0.00 +0.149 C ATOM 34 N LIG 1 -3.263 -5.083 1.514 0.00 0.00 -0.280 NA ATOM 35 H LIG 1 -4.073 -5.686 1.327 0.00 0.00 +0.189 HD ATOM 36 S LIG 1 -3.700 -5.147 -1.072 0.00 0.00 -0.089 S ATOM 37 C LIG 1 -2.732 -3.993 -2.094 0.00 0.00 +0.096 C ATOM 38 C LIG 1 -1.444 -3.771 -1.302 0.00 0.00 +0.118 C ENDBRANCH 31 32 ENDBRANCH 5 31 TORSDOF 8