REMARK Name = BDB060563 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.803 0.073 -0.001 0.00 0.00 +0.162 C ENDROOT BRANCH 1 4 ATOM 2 C LIG 1 1.014 1.663 1.904 0.00 0.00 +0.065 C ATOM 3 C LIG 1 -0.467 1.641 1.951 0.00 0.00 +0.036 A ATOM 4 N LIG 1 -1.274 0.888 1.117 0.00 0.00 -0.323 N ATOM 5 C LIG 1 -2.592 1.149 1.451 0.00 0.00 +0.141 A ATOM 6 N LIG 1 -2.639 2.020 2.445 0.00 0.00 -0.236 NA ATOM 7 C LIG 1 -1.345 2.315 2.768 0.00 0.00 +0.134 A BRANCH 5 8 ATOM 8 C LIG 1 -3.782 0.612 0.786 0.00 0.00 +0.018 A ATOM 9 C LIG 1 -3.987 -0.759 0.610 0.00 0.00 +0.015 A ATOM 10 C LIG 1 -5.143 -1.226 -0.024 0.00 0.00 +0.046 A ATOM 11 C LIG 1 -6.122 -0.336 -0.471 0.00 0.00 +0.127 A ATOM 12 C LIG 1 -5.928 1.033 -0.294 0.00 0.00 +0.046 A ATOM 13 C LIG 1 -4.770 1.500 0.339 0.00 0.00 +0.015 A BRANCH 11 14 ATOM 14 O LIG 1 -7.200 -0.924 -1.070 0.00 0.00 -0.434 OA BRANCH 14 15 ATOM 15 C LIG 1 -8.359 -0.119 -1.207 0.00 0.00 +0.541 C ATOM 16 F LIG 1 -9.371 -0.932 -1.603 0.00 0.00 -0.166 F ATOM 17 F LIG 1 -8.166 0.773 -2.210 0.00 0.00 -0.166 F ENDBRANCH 14 15 ENDBRANCH 11 14 ENDBRANCH 5 8 ENDBRANCH 1 4 BRANCH 1 18 ATOM 18 C LIG 1 -0.204 -1.264 0.396 0.00 0.00 +0.014 A ATOM 19 C LIG 1 0.596 -1.953 -0.539 0.00 0.00 +0.125 A ATOM 20 C LIG 1 1.128 -3.205 -0.218 0.00 0.00 +0.046 A ATOM 21 C LIG 1 0.885 -3.776 1.032 0.00 0.00 +0.004 A ATOM 22 C LIG 1 0.101 -3.106 1.963 0.00 0.00 +0.001 A ATOM 23 C LIG 1 -0.445 -1.862 1.647 0.00 0.00 +0.009 A BRANCH 19 24 ATOM 24 O LIG 1 0.772 -1.324 -1.744 0.00 0.00 -0.492 OA BRANCH 24 25 ATOM 25 C LIG 1 1.892 -1.683 -2.556 0.00 0.00 +0.229 C BRANCH 25 26 ATOM 26 C LIG 1 3.217 -1.165 -1.987 0.00 0.00 +0.041 C BRANCH 26 27 ATOM 27 C LIG 1 3.205 0.357 -1.793 0.00 0.00 +0.007 C BRANCH 27 28 ATOM 28 C LIG 1 4.545 0.922 -1.277 0.00 0.00 -0.003 C ATOM 29 C LIG 1 4.532 2.450 -1.423 0.00 0.00 +0.008 C BRANCH 28 30 ATOM 30 C LIG 1 4.803 0.527 0.189 0.00 0.00 +0.123 C BRANCH 30 31 ATOM 31 C LIG 1 6.204 0.852 0.639 0.00 0.00 +0.305 C ATOM 32 O LIG 1 7.201 0.940 -0.055 0.00 0.00 -0.251 OA BRANCH 31 33 ATOM 33 O LIG 1 6.282 1.008 1.975 0.00 0.00 -0.481 OA ATOM 34 H LIG 1 7.231 1.191 2.138 0.00 0.00 +0.295 HD ENDBRANCH 31 33 ENDBRANCH 30 31 ENDBRANCH 28 30 ENDBRANCH 27 28 ENDBRANCH 26 27 ENDBRANCH 25 26 ENDBRANCH 24 25 ENDBRANCH 19 24 ENDBRANCH 1 18 TORSDOF 13