REMARK Name = BDB035284 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.915 -1.646 0.250 0.00 0.00 +0.141 A ATOM 2 N LIG 1 -1.972 -2.991 0.168 0.00 0.00 -0.234 NA ATOM 3 C LIG 1 -3.152 -3.652 0.277 0.00 0.00 +0.047 A ATOM 4 C LIG 1 -4.331 -2.945 0.491 0.00 0.00 +0.032 A ATOM 5 C LIG 1 -4.305 -1.554 0.601 0.00 0.00 -0.012 A ATOM 6 C LIG 1 -3.073 -0.906 0.476 0.00 0.00 +0.055 A ENDROOT BRANCH 1 14 ATOM 7 C LIG 1 3.918 -0.429 -0.127 0.00 0.00 +0.031 A ATOM 8 N LIG 1 3.036 -1.413 0.268 0.00 0.00 -0.353 N ATOM 9 H LIG 1 3.276 -2.327 0.633 0.00 0.00 +0.166 HD ATOM 10 C LIG 1 1.751 -0.975 0.088 0.00 0.00 +0.113 A ATOM 11 C LIG 1 1.809 0.304 -0.412 0.00 0.00 +0.010 A ATOM 12 C LIG 1 0.585 0.987 -0.680 0.00 0.00 -0.018 A ATOM 13 C LIG 1 -0.571 0.324 -0.450 0.00 0.00 +0.100 A ATOM 14 N LIG 1 -0.650 -0.987 0.065 0.00 0.00 -0.266 N ATOM 15 C LIG 1 0.539 -1.711 0.378 0.00 0.00 +0.281 A ATOM 16 O LIG 1 0.615 -2.823 0.891 0.00 0.00 -0.265 OA ATOM 17 C LIG 1 3.166 0.652 -0.563 0.00 0.00 +0.033 A BRANCH 12 18 ATOM 18 C LIG 1 0.668 2.342 -1.256 0.00 0.00 +0.021 C ATOM 19 C LIG 1 1.190 3.477 -0.407 0.00 0.00 +0.009 C ATOM 20 C LIG 1 -0.261 3.434 -0.778 0.00 0.00 +0.009 C ENDBRANCH 12 18 BRANCH 7 21 ATOM 21 C LIG 1 5.399 -0.627 -0.063 0.00 0.00 +0.137 C BRANCH 21 25 ATOM 22 C LIG 1 9.719 1.681 0.650 0.00 0.00 +0.009 C ATOM 23 C LIG 1 8.389 1.256 1.269 0.00 0.00 +0.000 C ATOM 24 C LIG 1 7.516 0.503 0.242 0.00 0.00 +0.088 C ATOM 25 N LIG 1 6.075 0.520 0.549 0.00 0.00 -0.296 NA ATOM 26 C LIG 1 5.822 0.643 1.984 0.00 0.00 +0.085 C ATOM 27 C LIG 1 6.316 2.005 2.487 0.00 0.00 +0.016 C ATOM 28 C LIG 1 7.630 2.453 1.841 0.00 0.00 +0.006 C ENDBRANCH 21 25 ENDBRANCH 7 21 ENDBRANCH 1 14 BRANCH 5 29 ATOM 29 C LIG 1 -5.533 -0.793 0.862 0.00 0.00 -0.005 A ATOM 30 C LIG 1 -6.215 -0.072 -0.141 0.00 0.00 +0.047 A ATOM 31 C LIG 1 -7.367 0.669 0.156 0.00 0.00 +0.052 A ATOM 32 C LIG 1 -7.837 0.698 1.460 0.00 0.00 +0.124 A ATOM 33 F LIG 1 -8.934 1.409 1.749 0.00 0.00 -0.205 F ATOM 34 C LIG 1 -7.188 -0.001 2.470 0.00 0.00 +0.039 A ATOM 35 C LIG 1 -6.043 -0.743 2.173 0.00 0.00 +0.012 A BRANCH 30 36 ATOM 36 C LIG 1 -5.762 -0.108 -1.548 0.00 0.00 +0.247 C ATOM 37 N LIG 1 -5.417 1.096 -2.107 0.00 0.00 -0.292 N ATOM 38 C LIG 1 -4.971 2.345 -1.518 0.00 0.00 +0.146 C ATOM 39 C LIG 1 -3.942 2.426 -2.659 0.00 0.00 +0.200 C ATOM 40 F LIG 1 -3.853 3.616 -3.297 0.00 0.00 -0.242 F ATOM 41 C LIG 1 -4.737 1.323 -3.373 0.00 0.00 +0.146 C ATOM 42 O LIG 1 -5.732 -1.174 -2.151 0.00 0.00 -0.270 OA ENDBRANCH 30 36 ENDBRANCH 5 29 BRANCH 3 43 ATOM 43 C LIG 1 -3.094 -5.162 0.145 0.00 0.00 +0.038 C ATOM 44 C LIG 1 -4.130 -5.918 -0.653 0.00 0.00 +0.010 C ATOM 45 C LIG 1 -4.072 -6.079 0.840 0.00 0.00 +0.010 C ENDBRANCH 3 43 TORSDOF 7