REMARK Name = BDB056777 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.515 0.008 0.819 0.00 0.00 +0.121 A ATOM 2 C LIG 1 -1.880 0.166 0.608 0.00 0.00 +0.152 A ATOM 3 O LIG 1 -2.492 1.256 0.019 0.00 0.00 -0.458 OA ATOM 4 C LIG 1 -3.834 0.934 -0.130 0.00 0.00 +0.127 C ATOM 5 C LIG 1 -4.196 -0.337 0.623 0.00 0.00 +0.120 C ATOM 6 C LIG 1 -5.001 -0.047 1.894 0.00 0.00 +0.033 C ATOM 7 C LIG 1 -5.016 -1.171 -0.367 0.00 0.00 +0.188 C ATOM 8 O LIG 1 -4.831 -2.365 -0.596 0.00 0.00 -0.290 OA ATOM 9 C LIG 1 -6.097 -0.433 -1.102 0.00 0.00 +0.102 C ATOM 10 C LIG 1 -5.886 0.872 -1.366 0.00 0.00 +0.134 C ATOM 11 C LIG 1 -4.629 1.512 -1.040 0.00 0.00 +0.089 C ATOM 12 C LIG 1 -2.814 -0.818 0.956 0.00 0.00 +0.058 A ATOM 13 C LIG 1 -2.392 -1.981 1.559 0.00 0.00 +0.128 A ATOM 14 C LIG 1 -1.029 -2.182 1.785 0.00 0.00 +0.092 A ATOM 15 C LIG 1 -0.084 -1.195 1.426 0.00 0.00 +0.139 A ENDROOT BRANCH 1 18 ATOM 16 N LIG 1 1.690 0.746 0.074 0.00 0.00 -0.307 N ATOM 17 H LIG 1 1.981 -0.201 0.295 0.00 0.00 +0.149 HD ATOM 18 C LIG 1 0.408 1.111 0.417 0.00 0.00 +0.251 C ATOM 19 O LIG 1 0.033 2.279 0.400 0.00 0.00 -0.270 OA BRANCH 16 20 ATOM 20 C LIG 1 2.716 1.737 -0.136 0.00 0.00 +0.140 C BRANCH 20 22 ATOM 21 C LIG 1 4.376 1.010 -1.924 0.00 0.00 -0.042 A ATOM 22 C LIG 1 4.020 1.084 -0.553 0.00 0.00 -0.019 A ATOM 23 C LIG 1 4.876 0.497 0.438 0.00 0.00 -0.010 A ATOM 24 C LIG 1 6.095 -0.106 0.029 0.00 0.00 -0.017 A ATOM 25 C LIG 1 6.960 -0.686 0.974 0.00 0.00 +0.011 A ATOM 26 C LIG 1 6.639 -0.695 2.328 0.00 0.00 +0.039 A ATOM 27 C LIG 1 5.449 -0.121 2.738 0.00 0.00 +0.124 A ATOM 28 F LIG 1 5.123 -0.137 4.037 0.00 0.00 -0.205 F ATOM 29 C LIG 1 6.439 -0.130 -1.325 0.00 0.00 +0.009 A ATOM 30 C LIG 1 4.581 0.467 1.822 0.00 0.00 +0.047 A ATOM 31 C LIG 1 5.592 0.414 -2.286 0.00 0.00 +0.004 A BRANCH 21 33 ATOM 32 C LIG 1 3.839 3.017 -3.346 0.00 0.00 +0.009 C ATOM 33 C LIG 1 3.511 1.563 -3.038 0.00 0.00 +0.032 C ENDBRANCH 21 33 ENDBRANCH 20 22 ENDBRANCH 16 20 ENDBRANCH 1 18 BRANCH 9 34 ATOM 34 C LIG 1 -7.361 -1.113 -1.454 0.00 0.00 +0.167 C ATOM 35 O LIG 1 -7.991 -1.721 -0.589 0.00 0.00 -0.292 OA ATOM 36 C LIG 1 -7.858 -1.026 -2.874 0.00 0.00 +0.092 C ENDBRANCH 9 34 BRANCH 10 37 ATOM 37 O LIG 1 -6.814 1.660 -2.007 0.00 0.00 -0.506 OA ATOM 38 H LIG 1 -6.518 2.589 -1.987 0.00 0.00 +0.292 HD ENDBRANCH 10 37 BRANCH 13 39 ATOM 39 O LIG 1 -3.317 -2.894 1.953 0.00 0.00 -0.506 OA ATOM 40 H LIG 1 -2.901 -3.769 2.029 0.00 0.00 +0.292 HD ENDBRANCH 13 39 BRANCH 15 41 ATOM 41 O LIG 1 1.266 -1.339 1.641 0.00 0.00 -0.494 OA ATOM 42 C LIG 1 1.703 -2.417 2.462 0.00 0.00 +0.277 C ENDBRANCH 15 41 TORSDOF 8