REMARK Name = BDB035890 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.026 0.854 0.961 0.00 0.00 -0.010 A ATOM 2 C LIG 1 -3.102 0.222 0.315 0.00 0.00 +0.013 A ATOM 3 C LIG 1 -4.305 -0.128 0.970 0.00 0.00 -0.033 A ATOM 4 C LIG 1 -4.373 0.188 2.340 0.00 0.00 +0.017 A ATOM 5 C LIG 1 -3.318 0.821 3.023 0.00 0.00 +0.056 A ATOM 6 C LIG 1 -2.149 1.143 2.323 0.00 0.00 +0.021 A ENDROOT BRANCH 1 12 ATOM 7 C LIG 1 2.308 2.999 -3.436 0.00 0.00 +0.047 C ATOM 8 C LIG 1 2.548 2.314 -2.121 0.00 0.00 -0.007 A ATOM 9 C LIG 1 1.475 1.931 -1.302 0.00 0.00 +0.141 A ATOM 10 C LIG 1 1.711 1.293 -0.086 0.00 0.00 +0.065 A ATOM 11 C LIG 1 0.566 0.903 0.759 0.00 0.00 +0.200 A ATOM 12 C LIG 1 -0.794 1.198 0.224 0.00 0.00 +0.064 A ATOM 13 C LIG 1 -0.854 1.823 -0.962 0.00 0.00 +0.208 A ATOM 14 O LIG 1 0.742 0.365 1.847 0.00 0.00 -0.286 OA ATOM 15 C LIG 1 3.019 1.026 0.330 0.00 0.00 +0.020 A ATOM 16 C LIG 1 4.106 1.399 -0.473 0.00 0.00 -0.032 A ATOM 17 O LIG 1 0.205 2.209 -1.746 0.00 0.00 -0.462 OA ATOM 18 C LIG 1 3.859 2.043 -1.696 0.00 0.00 +0.012 A BRANCH 16 19 ATOM 19 C LIG 1 5.523 1.107 -0.023 0.00 0.00 +0.119 C BRANCH 19 20 ATOM 20 N LIG 1 5.811 -0.330 0.098 0.00 0.00 -0.298 NA ATOM 21 C LIG 1 7.084 -0.572 0.797 0.00 0.00 +0.088 C ATOM 22 C LIG 1 8.243 -0.943 -0.140 0.00 0.00 +0.000 C ATOM 23 C LIG 1 9.552 -1.100 0.631 0.00 0.00 +0.009 C ATOM 24 C LIG 1 7.914 -2.224 -0.921 0.00 0.00 +0.006 C ATOM 25 C LIG 1 6.416 -2.375 -1.187 0.00 0.00 +0.016 C ATOM 26 C LIG 1 5.710 -1.021 -1.198 0.00 0.00 +0.085 C ENDBRANCH 19 20 ENDBRANCH 16 19 ENDBRANCH 1 12 BRANCH 3 27 ATOM 27 C LIG 1 -5.502 -0.839 0.153 0.00 0.00 +0.056 C ATOM 28 C LIG 1 -6.649 -1.584 0.922 0.00 0.00 +0.022 C ATOM 29 C LIG 1 -5.810 -2.879 0.808 0.00 0.00 -0.012 C ATOM 30 C LIG 1 -6.580 -4.168 0.609 0.00 0.00 +0.007 C ATOM 31 C LIG 1 -5.166 -2.255 -0.453 0.00 0.00 +0.022 C BRANCH 27 32 ATOM 32 C LIG 1 -6.055 0.167 -0.934 0.00 0.00 +0.144 A ATOM 33 N LIG 1 -6.865 1.251 -0.733 0.00 0.00 -0.320 N ATOM 34 C LIG 1 -7.415 1.722 0.507 0.00 0.00 +0.151 C ATOM 35 C LIG 1 -7.037 1.822 -1.956 0.00 0.00 +0.224 A ATOM 36 N LIG 1 -6.367 1.143 -2.856 0.00 0.00 -0.138 NA ATOM 37 N LIG 1 -5.741 0.102 -2.211 0.00 0.00 -0.134 NA ENDBRANCH 27 32 ENDBRANCH 3 27 BRANCH 5 38 ATOM 38 C LIG 1 -3.438 1.117 4.498 0.00 0.00 +0.417 C ATOM 39 F LIG 1 -3.148 0.039 5.274 0.00 0.00 -0.166 F ATOM 40 F LIG 1 -4.702 1.497 4.848 0.00 0.00 -0.166 F ATOM 41 F LIG 1 -2.624 2.123 4.921 0.00 0.00 -0.166 F ENDBRANCH 5 38 TORSDOF 6