REMARK Name = BDB040240 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 4.019 0.468 -0.533 0.00 0.00 -0.032 A ATOM 2 C LIG 1 3.615 -0.213 -1.706 0.00 0.00 +0.017 A ATOM 3 C LIG 1 2.277 -0.606 -1.910 0.00 0.00 +0.061 A ATOM 4 C LIG 1 1.363 -0.305 -0.904 0.00 0.00 -0.006 A ATOM 5 C LIG 1 -0.101 -0.592 -0.828 0.00 0.00 +0.150 C ATOM 6 N LIG 1 -0.494 -0.044 0.463 0.00 0.00 -0.263 N ATOM 7 C LIG 1 0.598 0.534 1.121 0.00 0.00 +0.251 C ATOM 8 O LIG 1 0.674 1.109 2.191 0.00 0.00 -0.270 OA ATOM 9 C LIG 1 1.766 0.357 0.249 0.00 0.00 +0.043 A ATOM 10 C LIG 1 3.074 0.750 0.464 0.00 0.00 +0.018 A ENDROOT BRANCH 6 11 ATOM 11 C LIG 1 -1.826 -0.139 0.955 0.00 0.00 +0.037 A ATOM 12 C LIG 1 -2.852 -0.677 0.153 0.00 0.00 +0.027 A ATOM 13 C LIG 1 -4.196 -0.804 0.585 0.00 0.00 -0.039 A ATOM 14 C LIG 1 -4.471 -0.352 1.887 0.00 0.00 +0.004 A ATOM 15 C LIG 1 -3.478 0.186 2.702 0.00 0.00 +0.002 A ATOM 16 C LIG 1 -2.168 0.292 2.237 0.00 0.00 +0.023 A BRANCH 13 17 ATOM 17 C LIG 1 -5.361 -1.389 -0.382 0.00 0.00 +0.013 C ATOM 18 C LIG 1 -6.438 -2.329 0.270 0.00 0.00 +0.087 C ATOM 19 C LIG 1 -5.584 -3.536 -0.156 0.00 0.00 +0.251 C ATOM 20 F LIG 1 -6.268 -4.613 -0.602 0.00 0.00 -0.206 F ATOM 21 F LIG 1 -4.704 -3.989 0.765 0.00 0.00 -0.206 F ATOM 22 C LIG 1 -4.981 -2.638 -1.255 0.00 0.00 +0.087 C BRANCH 17 23 ATOM 23 C LIG 1 -5.946 -0.246 -1.241 0.00 0.00 +0.088 C BRANCH 23 24 ATOM 24 C LIG 1 -6.688 0.757 -0.427 0.00 0.00 +0.134 A ATOM 25 N LIG 1 -6.275 2.036 -0.155 0.00 0.00 -0.320 N ATOM 26 C LIG 1 -5.076 2.693 -0.600 0.00 0.00 +0.151 C ATOM 27 C LIG 1 -7.235 2.583 0.640 0.00 0.00 +0.224 A ATOM 28 N LIG 1 -8.189 1.706 0.841 0.00 0.00 -0.138 NA ATOM 29 N LIG 1 -7.849 0.559 0.166 0.00 0.00 -0.135 NA ENDBRANCH 23 24 ENDBRANCH 17 23 ENDBRANCH 13 17 ENDBRANCH 6 11 BRANCH 3 30 ATOM 30 C LIG 1 1.844 -1.329 -3.156 0.00 0.00 +0.418 C ATOM 31 F LIG 1 1.365 -2.574 -2.888 0.00 0.00 -0.166 F ATOM 32 F LIG 1 2.836 -1.492 -4.072 0.00 0.00 -0.166 F ATOM 33 F LIG 1 0.837 -0.678 -3.802 0.00 0.00 -0.166 F ENDBRANCH 3 30 BRANCH 1 34 ATOM 34 C LIG 1 5.469 0.858 -0.332 0.00 0.00 +0.116 C BRANCH 34 35 ATOM 35 N LIG 1 6.126 -0.100 0.551 0.00 0.00 -0.310 NA ATOM 36 H LIG 1 6.013 -1.038 0.167 0.00 0.00 +0.122 HD BRANCH 35 37 ATOM 37 C LIG 1 7.553 0.147 0.810 0.00 0.00 +0.051 C ATOM 38 C LIG 1 8.400 -0.038 -0.453 0.00 0.00 +0.024 C BRANCH 37 40 ATOM 39 C LIG 1 9.216 1.668 2.022 0.00 0.00 +0.005 C ATOM 40 C LIG 1 7.795 1.505 1.497 0.00 0.00 +0.015 C ENDBRANCH 37 40 ENDBRANCH 35 37 ENDBRANCH 34 35 ENDBRANCH 1 34 TORSDOF 9