REMARK Name = BDB040292 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 3.943 0.201 0.888 0.00 0.00 -0.032 A ATOM 2 C LIG 1 3.288 1.429 1.155 0.00 0.00 +0.017 A ATOM 3 C LIG 1 1.885 1.535 1.169 0.00 0.00 +0.061 A ATOM 4 C LIG 1 1.157 0.377 0.911 0.00 0.00 -0.006 A ATOM 5 C LIG 1 -0.321 0.171 0.854 0.00 0.00 +0.150 C ATOM 6 N LIG 1 -0.461 -1.244 0.537 0.00 0.00 -0.263 N ATOM 7 C LIG 1 0.789 -1.860 0.411 0.00 0.00 +0.251 C ATOM 8 O LIG 1 1.099 -3.008 0.152 0.00 0.00 -0.270 OA ATOM 9 C LIG 1 1.803 -0.826 0.652 0.00 0.00 +0.043 A ATOM 10 C LIG 1 3.181 -0.947 0.635 0.00 0.00 +0.018 A ENDROOT BRANCH 6 11 ATOM 11 C LIG 1 -1.732 -1.869 0.402 0.00 0.00 +0.037 A ATOM 12 C LIG 1 -2.920 -1.120 0.526 0.00 0.00 +0.027 A ATOM 13 C LIG 1 -4.214 -1.685 0.416 0.00 0.00 -0.039 A ATOM 14 C LIG 1 -4.266 -3.064 0.149 0.00 0.00 +0.004 A ATOM 15 C LIG 1 -3.109 -3.830 0.019 0.00 0.00 +0.002 A ATOM 16 C LIG 1 -1.854 -3.236 0.147 0.00 0.00 +0.023 A BRANCH 13 17 ATOM 17 C LIG 1 -5.580 -0.790 0.544 0.00 0.00 +0.013 C ATOM 18 C LIG 1 -5.550 0.385 1.593 0.00 0.00 +0.087 C ATOM 19 C LIG 1 -6.115 -0.598 2.640 0.00 0.00 +0.251 C ATOM 20 F LIG 1 -7.015 -0.075 3.501 0.00 0.00 -0.206 F ATOM 21 F LIG 1 -5.185 -1.230 3.392 0.00 0.00 -0.206 F ATOM 22 C LIG 1 -6.695 -1.417 1.469 0.00 0.00 +0.087 C BRANCH 17 23 ATOM 23 C LIG 1 -6.002 -0.420 -0.895 0.00 0.00 +0.088 C BRANCH 23 24 ATOM 24 C LIG 1 -7.163 0.505 -1.018 0.00 0.00 +0.134 A ATOM 25 N LIG 1 -7.096 1.824 -1.389 0.00 0.00 -0.320 N ATOM 26 C LIG 1 -5.925 2.586 -1.727 0.00 0.00 +0.151 C ATOM 27 C LIG 1 -8.375 2.288 -1.377 0.00 0.00 +0.224 A ATOM 28 N LIG 1 -9.187 1.320 -1.028 0.00 0.00 -0.138 NA ATOM 29 N LIG 1 -8.427 0.196 -0.812 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 1.190 2.841 1.441 0.00 0.00 +0.418 C ATOM 31 F LIG 1 2.031 3.881 1.681 0.00 0.00 -0.166 F ATOM 32 F LIG 1 0.361 2.766 2.519 0.00 0.00 -0.166 F ATOM 33 F LIG 1 0.398 3.226 0.400 0.00 0.00 -0.166 F ENDBRANCH 3 30 BRANCH 1 34 ATOM 34 C LIG 1 5.459 0.132 0.885 0.00 0.00 +0.119 C BRANCH 34 41 ATOM 35 C LIG 1 9.804 0.073 -0.353 0.00 0.00 +0.025 C ATOM 36 C LIG 1 8.416 0.354 -0.924 0.00 0.00 +0.065 C ATOM 37 N LIG 1 7.795 -0.912 -1.350 0.00 0.00 -0.311 NA ATOM 38 H LIG 1 7.653 -1.490 -0.522 0.00 0.00 +0.122 HD ATOM 39 C LIG 1 6.479 -0.643 -1.959 0.00 0.00 +0.096 C ATOM 40 C LIG 1 5.786 0.659 -1.487 0.00 0.00 +0.100 C ATOM 41 N LIG 1 6.073 1.046 -0.090 0.00 0.00 -0.295 NA ATOM 42 C LIG 1 7.542 1.129 0.109 0.00 0.00 +0.103 C ENDBRANCH 34 41 ENDBRANCH 1 34 TORSDOF 7