REMARK Name = BDB033552 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 0.065 0.271 0.734 0.00 0.00 -0.320 N ATOM 2 C LIG 1 -1.164 -0.300 0.363 0.00 0.00 +0.069 A ATOM 3 C LIG 1 -1.207 -1.523 1.020 0.00 0.00 +0.090 A ATOM 4 C LIG 1 -2.321 -2.368 0.899 0.00 0.00 +0.038 A ATOM 5 C LIG 1 -3.390 -1.974 0.087 0.00 0.00 -0.011 A ATOM 6 C LIG 1 -3.341 -0.747 -0.577 0.00 0.00 +0.011 A ATOM 7 N LIG 1 -0.062 -1.736 1.714 0.00 0.00 -0.230 NA ATOM 8 C LIG 1 -2.235 0.106 -0.454 0.00 0.00 +0.028 A ATOM 9 C LIG 1 0.738 -0.713 1.467 0.00 0.00 +0.132 A ENDROOT BRANCH 1 13 ATOM 10 C LIG 1 1.008 4.159 -0.398 0.00 0.00 +0.069 C ATOM 11 C LIG 1 2.094 3.623 0.546 0.00 0.00 +0.037 C ATOM 12 C LIG 1 1.794 2.181 0.977 0.00 0.00 +0.031 C ATOM 13 C LIG 1 0.464 1.652 0.364 0.00 0.00 +0.048 C ATOM 14 C LIG 1 0.642 1.776 -1.178 0.00 0.00 +0.031 C ATOM 15 C LIG 1 -0.608 2.679 0.864 0.00 0.00 +0.031 C ATOM 16 C LIG 1 0.939 3.218 -1.612 0.00 0.00 +0.037 C ATOM 17 C LIG 1 -0.327 4.101 0.360 0.00 0.00 +0.037 C BRANCH 10 19 ATOM 18 C LIG 1 0.549 6.202 -1.625 0.00 0.00 +0.194 C ATOM 19 O LIG 1 1.396 5.487 -0.739 0.00 0.00 -0.377 OA ENDBRANCH 10 19 ENDBRANCH 1 13 BRANCH 5 20 ATOM 20 C LIG 1 -4.542 -2.835 -0.069 0.00 0.00 +0.047 A ATOM 21 C LIG 1 -4.506 -4.113 -0.582 0.00 0.00 +0.142 A ATOM 22 C LIG 1 -3.443 -4.996 -1.100 0.00 0.00 +0.090 C ATOM 23 O LIG 1 -5.767 -4.622 -0.599 0.00 0.00 -0.359 OA ATOM 24 N LIG 1 -6.655 -3.684 -0.108 0.00 0.00 -0.083 NA ATOM 25 C LIG 1 -5.916 -2.614 0.210 0.00 0.00 +0.088 A ATOM 26 C LIG 1 -6.562 -1.410 0.781 0.00 0.00 +0.070 C ENDBRANCH 5 20 BRANCH 9 27 ATOM 27 C LIG 1 2.165 -0.725 1.958 0.00 0.00 +0.154 C ATOM 28 N LIG 1 3.216 -0.885 0.952 0.00 0.00 -0.227 N ATOM 29 C LIG 1 4.527 -0.738 1.422 0.00 0.00 +0.408 C ATOM 30 O LIG 1 5.529 -0.632 0.725 0.00 0.00 -0.226 OA ATOM 31 O LIG 1 4.663 -0.718 2.783 0.00 0.00 -0.450 OA ATOM 32 C LIG 1 3.771 -1.457 3.643 0.00 0.00 +0.236 C ATOM 33 C LIG 1 2.423 -1.776 3.025 0.00 0.00 +0.072 C BRANCH 28 34 ATOM 34 C LIG 1 2.983 -1.321 -0.392 0.00 0.00 +0.043 A ATOM 35 C LIG 1 2.051 -2.325 -0.688 0.00 0.00 +0.065 A ATOM 36 C LIG 1 1.835 -2.727 -2.005 0.00 0.00 +0.160 A ATOM 37 F LIG 1 0.933 -3.686 -2.258 0.00 0.00 -0.202 F ATOM 38 C LIG 1 2.550 -2.153 -3.045 0.00 0.00 +0.159 A ATOM 39 F LIG 1 2.337 -2.540 -4.309 0.00 0.00 -0.202 F ATOM 40 C LIG 1 3.498 -1.176 -2.779 0.00 0.00 +0.043 A ATOM 41 C LIG 1 3.716 -0.768 -1.458 0.00 0.00 +0.026 A ENDBRANCH 28 34 ENDBRANCH 9 27 TORSDOF 5