REMARK Name = BDB035626 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 0.077 0.230 -1.140 0.00 0.00 -0.263 N ATOM 2 C LIG 1 1.230 0.404 -1.912 0.00 0.00 +0.251 C ATOM 3 O LIG 1 1.383 0.524 -3.114 0.00 0.00 -0.270 OA ATOM 4 C LIG 1 2.368 0.432 -0.984 0.00 0.00 +0.043 A ATOM 5 C LIG 1 3.713 0.577 -1.273 0.00 0.00 +0.018 A ATOM 6 C LIG 1 4.617 0.572 -0.203 0.00 0.00 -0.032 A ATOM 7 C LIG 1 4.133 0.413 1.119 0.00 0.00 +0.017 A ATOM 8 C LIG 1 2.760 0.266 1.396 0.00 0.00 +0.061 A ATOM 9 C LIG 1 1.887 0.280 0.311 0.00 0.00 -0.006 A ATOM 10 C LIG 1 0.399 0.146 0.281 0.00 0.00 +0.150 C ENDROOT BRANCH 1 13 ATOM 11 C LIG 1 -3.675 -0.103 -1.165 0.00 0.00 -0.035 A ATOM 12 C LIG 1 -2.332 -0.019 -0.728 0.00 0.00 +0.028 A ATOM 13 C LIG 1 -1.258 0.137 -1.621 0.00 0.00 +0.037 A ATOM 14 C LIG 1 -1.558 0.197 -2.984 0.00 0.00 +0.023 A ATOM 15 C LIG 1 -2.876 0.104 -3.440 0.00 0.00 +0.002 A ATOM 16 C LIG 1 -3.928 -0.045 -2.539 0.00 0.00 +0.004 A BRANCH 11 17 ATOM 17 C LIG 1 -4.775 -0.247 -0.111 0.00 0.00 +0.087 C BRANCH 17 20 ATOM 18 C LIG 1 -4.976 2.863 -0.816 0.00 0.00 +0.151 C ATOM 19 N LIG 1 -4.922 2.262 0.489 0.00 0.00 -0.320 N ATOM 20 C LIG 1 -4.828 0.933 0.826 0.00 0.00 +0.140 A ATOM 21 N LIG 1 -4.781 0.844 2.143 0.00 0.00 -0.134 NA ATOM 22 N LIG 1 -4.850 2.109 2.668 0.00 0.00 -0.138 NA ATOM 23 C LIG 1 -4.932 2.949 1.665 0.00 0.00 +0.224 A ENDBRANCH 17 20 BRANCH 17 24 ATOM 24 C LIG 1 -6.181 -0.605 -0.652 0.00 0.00 +0.021 C BRANCH 24 25 ATOM 25 C LIG 1 -7.221 -0.925 0.429 0.00 0.00 +0.018 C ATOM 26 C LIG 1 -8.560 -1.361 -0.148 0.00 0.00 +0.163 C ATOM 27 O LIG 1 -9.211 -2.144 0.861 0.00 0.00 -0.379 OA ATOM 28 C LIG 1 -8.255 -2.449 1.887 0.00 0.00 +0.160 C ATOM 29 C LIG 1 -6.892 -2.100 1.327 0.00 0.00 +0.034 C ENDBRANCH 24 25 ENDBRANCH 17 24 ENDBRANCH 11 17 ENDBRANCH 1 13 BRANCH 8 30 ATOM 30 C LIG 1 2.249 0.095 2.801 0.00 0.00 +0.418 C ATOM 31 F LIG 1 3.224 0.100 3.748 0.00 0.00 -0.166 F ATOM 32 F LIG 1 1.570 -1.074 2.962 0.00 0.00 -0.166 F ATOM 33 F LIG 1 1.377 1.080 3.150 0.00 0.00 -0.166 F ENDBRANCH 8 30 BRANCH 6 34 ATOM 34 C LIG 1 6.103 0.713 -0.450 0.00 0.00 +0.116 C BRANCH 34 35 ATOM 35 N LIG 1 6.781 -0.553 -0.172 0.00 0.00 -0.307 NA ATOM 36 H LIG 1 6.419 -1.264 -0.807 0.00 0.00 +0.123 HD BRANCH 35 37 ATOM 37 C LIG 1 8.245 -0.425 -0.199 0.00 0.00 +0.017 C ATOM 38 C LIG 1 8.818 -1.732 0.427 0.00 0.00 +0.022 C ATOM 39 C LIG 1 9.756 -0.841 1.268 0.00 0.00 +0.004 C ATOM 40 C LIG 1 8.732 0.300 1.088 0.00 0.00 +0.022 C ATOM 41 C LIG 1 8.834 -0.030 -1.540 0.00 0.00 +0.027 C ENDBRANCH 35 37 ENDBRANCH 34 35 ENDBRANCH 6 34 TORSDOF 9