REMARK Name = BDB038519 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.535 -1.003 0.390 0.00 0.00 -0.248 N ATOM 2 C LIG 1 0.645 -1.277 -0.303 0.00 0.00 +0.253 C ATOM 3 O LIG 1 0.869 -1.935 -1.302 0.00 0.00 -0.270 OA ATOM 4 C LIG 1 1.720 -0.576 0.413 0.00 0.00 +0.043 A ATOM 5 C LIG 1 3.070 -0.529 0.113 0.00 0.00 +0.019 A ATOM 6 C LIG 1 3.903 0.223 0.952 0.00 0.00 -0.021 A ATOM 7 C LIG 1 3.345 0.897 2.067 0.00 0.00 +0.018 A ATOM 8 C LIG 1 1.969 0.841 2.358 0.00 0.00 +0.061 A ATOM 9 C LIG 1 1.169 0.088 1.503 0.00 0.00 -0.006 A ATOM 10 C LIG 1 -0.306 -0.149 1.539 0.00 0.00 +0.151 C ENDROOT BRANCH 1 13 ATOM 11 C LIG 1 -3.094 -2.787 -1.441 0.00 0.00 +0.121 A ATOM 12 N LIG 1 -1.904 -2.306 -1.040 0.00 0.00 -0.217 NA ATOM 13 C LIG 1 -1.808 -1.490 0.026 0.00 0.00 +0.131 A ATOM 14 C LIG 1 -2.940 -1.127 0.741 0.00 0.00 +0.054 A ATOM 15 C LIG 1 -4.185 -1.610 0.332 0.00 0.00 +0.007 A ATOM 16 C LIG 1 -4.258 -2.462 -0.766 0.00 0.00 +0.053 A BRANCH 15 17 ATOM 17 C LIG 1 -5.382 -1.247 1.079 0.00 0.00 +0.079 A ATOM 18 N LIG 1 -6.014 -2.132 1.935 0.00 0.00 -0.266 N ATOM 19 C LIG 1 -5.691 -3.526 2.151 0.00 0.00 +0.173 C ATOM 20 N LIG 1 -6.998 -1.579 2.664 0.00 0.00 -0.179 NA ATOM 21 C LIG 1 -6.996 -0.304 2.277 0.00 0.00 +0.146 A ATOM 22 C LIG 1 -6.040 -0.043 1.271 0.00 0.00 +0.064 A BRANCH 22 23 ATOM 23 C LIG 1 -5.850 1.367 0.633 0.00 0.00 +0.167 A ATOM 24 N LIG 1 -5.155 1.778 -0.475 0.00 0.00 -0.316 N ATOM 25 C LIG 1 -4.571 1.002 -1.532 0.00 0.00 +0.152 C ATOM 26 C LIG 1 -5.279 3.138 -0.520 0.00 0.00 +0.225 A ATOM 27 N LIG 1 -6.042 3.544 0.464 0.00 0.00 -0.138 NA ATOM 28 N LIG 1 -6.429 2.430 1.165 0.00 0.00 -0.129 NA ENDBRANCH 22 23 ENDBRANCH 15 17 BRANCH 11 29 ATOM 29 N LIG 1 -3.174 -3.679 -2.519 0.00 0.00 -0.329 N ATOM 30 H LIG 1 -3.905 -3.399 -3.164 0.00 0.00 +0.147 HD BRANCH 29 32 ATOM 31 C LIG 1 -1.535 -2.865 -4.182 0.00 0.00 +0.024 C ATOM 32 C LIG 1 -1.913 -3.968 -3.205 0.00 0.00 +0.099 C ENDBRANCH 29 32 ENDBRANCH 11 29 ENDBRANCH 1 13 BRANCH 8 33 ATOM 33 C LIG 1 1.378 1.569 3.533 0.00 0.00 +0.418 C ATOM 34 F LIG 1 2.291 2.227 4.296 0.00 0.00 -0.166 F ATOM 35 F LIG 1 0.459 2.498 3.151 0.00 0.00 -0.166 F ATOM 36 F LIG 1 0.719 0.726 4.376 0.00 0.00 -0.166 F ENDBRANCH 8 33 BRANCH 6 37 ATOM 37 C LIG 1 5.384 0.315 0.675 0.00 0.00 +0.195 C BRANCH 37 38 ATOM 38 O LIG 1 5.726 1.689 0.537 0.00 0.00 -0.369 OA BRANCH 38 39 ATOM 39 C LIG 1 7.106 1.910 0.231 0.00 0.00 +0.147 C ATOM 40 C LIG 1 7.405 1.920 -1.278 0.00 0.00 +0.143 C ATOM 41 C LIG 1 6.724 3.196 -1.757 0.00 0.00 +0.034 C ATOM 42 C LIG 1 6.891 4.182 -0.600 0.00 0.00 +0.005 C ATOM 43 C LIG 1 7.410 3.365 0.591 0.00 0.00 +0.034 C BRANCH 40 44 ATOM 44 O LIG 1 6.939 0.789 -1.990 0.00 0.00 -0.389 OA ATOM 45 H LIG 1 7.513 0.039 -1.760 0.00 0.00 +0.210 HD ENDBRANCH 40 44 ENDBRANCH 38 39 ENDBRANCH 37 38 ENDBRANCH 6 37 TORSDOF 10