REMARK Name = BDB039935 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.362 1.167 0.979 0.00 0.00 -0.263 N ATOM 2 C LIG 1 0.808 1.009 1.729 0.00 0.00 +0.251 C ATOM 3 O LIG 1 1.028 1.170 2.916 0.00 0.00 -0.270 OA ATOM 4 C LIG 1 1.860 0.586 0.794 0.00 0.00 +0.043 A ATOM 5 C LIG 1 3.189 0.304 1.055 0.00 0.00 +0.018 A ATOM 6 C LIG 1 4.003 -0.090 -0.018 0.00 0.00 -0.032 A ATOM 7 C LIG 1 3.448 -0.186 -1.317 0.00 0.00 +0.017 A ATOM 8 C LIG 1 2.092 0.105 -1.566 0.00 0.00 +0.061 A ATOM 9 C LIG 1 1.312 0.492 -0.480 0.00 0.00 -0.006 A ATOM 10 C LIG 1 -0.136 0.856 -0.427 0.00 0.00 +0.150 C ENDROOT BRANCH 1 13 ATOM 11 C LIG 1 -4.027 2.009 1.040 0.00 0.00 -0.006 A ATOM 12 C LIG 1 -2.728 1.695 0.590 0.00 0.00 +0.030 A ATOM 13 C LIG 1 -1.647 1.524 1.473 0.00 0.00 +0.037 A ATOM 14 C LIG 1 -1.892 1.700 2.837 0.00 0.00 +0.023 A ATOM 15 C LIG 1 -3.173 2.008 3.306 0.00 0.00 +0.002 A ATOM 16 C LIG 1 -4.236 2.152 2.417 0.00 0.00 +0.007 A BRANCH 11 17 ATOM 17 C LIG 1 -5.155 2.135 0.016 0.00 0.00 +0.172 C ATOM 18 F LIG 1 -4.655 2.447 -1.233 0.00 0.00 -0.234 F ATOM 19 C LIG 1 -6.098 3.299 0.356 0.00 0.00 +0.056 C BRANCH 17 20 ATOM 20 C LIG 1 -5.966 0.819 -0.115 0.00 0.00 +0.274 C ATOM 21 F LIG 1 -7.093 1.061 -0.858 0.00 0.00 -0.233 F BRANCH 20 24 ATOM 22 C LIG 1 -5.835 0.102 -3.156 0.00 0.00 +0.151 C ATOM 23 N LIG 1 -5.126 -0.554 -2.090 0.00 0.00 -0.318 N ATOM 24 C LIG 1 -5.176 -0.282 -0.746 0.00 0.00 +0.171 A ATOM 25 N LIG 1 -4.406 -1.150 -0.117 0.00 0.00 -0.132 NA ATOM 26 N LIG 1 -3.831 -1.974 -1.053 0.00 0.00 -0.138 NA ATOM 27 C LIG 1 -4.276 -1.609 -2.231 0.00 0.00 +0.224 A ENDBRANCH 20 24 ENDBRANCH 17 20 ENDBRANCH 11 17 ENDBRANCH 1 13 BRANCH 8 28 ATOM 28 C LIG 1 1.500 -0.004 -2.945 0.00 0.00 +0.418 C ATOM 29 F LIG 1 0.912 1.158 -3.348 0.00 0.00 -0.166 F ATOM 30 F LIG 1 2.408 -0.316 -3.910 0.00 0.00 -0.166 F ATOM 31 F LIG 1 0.529 -0.954 -3.022 0.00 0.00 -0.166 F ENDBRANCH 8 28 BRANCH 6 32 ATOM 32 C LIG 1 5.470 -0.403 0.213 0.00 0.00 +0.119 C BRANCH 32 33 ATOM 33 N LIG 1 5.656 -1.520 1.154 0.00 0.00 -0.292 NA ATOM 34 C LIG 1 7.098 -1.825 1.300 0.00 0.00 +0.126 C ATOM 35 C LIG 1 6.972 -2.951 0.246 0.00 0.00 +0.134 C ATOM 36 F LIG 1 7.389 -2.621 -1.004 0.00 0.00 -0.240 F ATOM 37 C LIG 1 7.588 -4.282 0.632 0.00 0.00 +0.050 C ATOM 38 C LIG 1 5.449 -2.826 0.484 0.00 0.00 +0.126 C ENDBRANCH 32 33 ENDBRANCH 6 32 TORSDOF 7