REMARK Name = BDB036038 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 3.886 0.475 -1.700 0.00 0.00 -0.032 A ATOM 2 C LIG 1 3.379 -0.832 -1.911 0.00 0.00 +0.017 A ATOM 3 C LIG 1 2.019 -1.142 -1.719 0.00 0.00 +0.061 A ATOM 4 C LIG 1 1.183 -0.109 -1.306 0.00 0.00 -0.006 A ATOM 5 C LIG 1 -0.283 -0.123 -1.013 0.00 0.00 +0.150 C ATOM 6 N LIG 1 -0.568 1.253 -0.624 0.00 0.00 -0.263 N ATOM 7 C LIG 1 0.586 2.042 -0.667 0.00 0.00 +0.251 C ATOM 8 O LIG 1 0.765 3.219 -0.415 0.00 0.00 -0.270 OA ATOM 9 C LIG 1 1.685 1.171 -1.101 0.00 0.00 +0.043 A ATOM 10 C LIG 1 3.017 1.494 -1.290 0.00 0.00 +0.018 A ENDROOT BRANCH 6 11 ATOM 11 C LIG 1 -1.873 1.680 -0.253 0.00 0.00 +0.037 A ATOM 12 C LIG 1 -2.952 0.778 -0.256 0.00 0.00 +0.028 A ATOM 13 C LIG 1 -4.275 1.133 0.115 0.00 0.00 -0.032 A ATOM 14 C LIG 1 -4.472 2.471 0.494 0.00 0.00 +0.005 A ATOM 15 C LIG 1 -3.424 3.390 0.501 0.00 0.00 +0.002 A ATOM 16 C LIG 1 -2.137 2.995 0.131 0.00 0.00 +0.023 A BRANCH 13 17 ATOM 17 C LIG 1 -5.447 0.034 0.104 0.00 0.00 +0.056 C ATOM 18 C LIG 1 -6.942 0.492 0.166 0.00 0.00 +0.024 C ATOM 19 C LIG 1 -7.294 -0.495 -0.974 0.00 0.00 +0.005 C ATOM 20 C LIG 1 -5.788 -0.565 -1.308 0.00 0.00 +0.024 C BRANCH 17 21 ATOM 21 C LIG 1 -5.120 -1.084 1.185 0.00 0.00 +0.144 A ATOM 22 N LIG 1 -4.984 -0.929 2.538 0.00 0.00 -0.320 N ATOM 23 C LIG 1 -5.088 0.279 3.310 0.00 0.00 +0.151 C ATOM 24 C LIG 1 -4.702 -2.166 3.029 0.00 0.00 +0.224 A ATOM 25 N LIG 1 -4.659 -3.031 2.043 0.00 0.00 -0.138 NA ATOM 26 N LIG 1 -4.910 -2.348 0.879 0.00 0.00 -0.134 NA ENDBRANCH 17 21 BRANCH 19 27 ATOM 27 C LIG 1 -7.972 -1.814 -0.601 0.00 0.00 +0.122 C BRANCH 27 28 ATOM 28 C LIG 1 -9.359 -1.578 -0.175 0.00 0.00 +0.063 C ATOM 29 N LIG 1 -10.448 -1.369 0.168 0.00 0.00 -0.197 NA ENDBRANCH 27 28 ENDBRANCH 19 27 ENDBRANCH 13 17 ENDBRANCH 6 11 BRANCH 3 30 ATOM 30 C LIG 1 1.489 -2.535 -1.929 0.00 0.00 +0.418 C ATOM 31 F LIG 1 1.067 -3.104 -0.768 0.00 0.00 -0.166 F ATOM 32 F LIG 1 2.394 -3.394 -2.469 0.00 0.00 -0.166 F ATOM 33 F LIG 1 0.412 -2.552 -2.763 0.00 0.00 -0.166 F ENDBRANCH 3 30 BRANCH 1 34 ATOM 34 C LIG 1 5.359 0.762 -1.916 0.00 0.00 +0.119 C BRANCH 34 42 ATOM 35 C LIG 1 6.931 0.061 2.740 0.00 0.00 +0.015 C ATOM 36 C LIG 1 7.296 0.147 1.259 0.00 0.00 +0.069 C ATOM 37 C LIG 1 8.059 -1.080 0.790 0.00 0.00 +0.254 C ATOM 38 F LIG 1 9.193 -1.225 1.528 0.00 0.00 -0.205 F ATOM 39 F LIG 1 7.320 -2.198 1.020 0.00 0.00 -0.205 F ATOM 40 C LIG 1 8.440 -1.017 -0.681 0.00 0.00 +0.091 C ATOM 41 C LIG 1 7.622 0.024 -1.444 0.00 0.00 +0.090 C ATOM 42 N LIG 1 6.226 -0.022 -1.024 0.00 0.00 -0.298 NA ATOM 43 C LIG 1 6.041 0.334 0.395 0.00 0.00 +0.093 C ENDBRANCH 34 42 ENDBRANCH 1 34 TORSDOF 8