REMARK Name = BDB035456 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.432 0.292 -0.901 0.00 0.00 -0.263 N ATOM 2 C LIG 1 0.805 0.804 -1.310 0.00 0.00 +0.251 C ATOM 3 O LIG 1 1.085 1.765 -2.002 0.00 0.00 -0.270 OA ATOM 4 C LIG 1 1.840 -0.060 -0.727 0.00 0.00 +0.043 A ATOM 5 C LIG 1 3.214 0.037 -0.843 0.00 0.00 +0.018 A ATOM 6 C LIG 1 4.000 -0.925 -0.191 0.00 0.00 -0.032 A ATOM 7 C LIG 1 3.372 -1.940 0.570 0.00 0.00 +0.017 A ATOM 8 C LIG 1 1.970 -2.020 0.683 0.00 0.00 +0.061 A ATOM 9 C LIG 1 1.219 -1.058 0.013 0.00 0.00 -0.006 A ATOM 10 C LIG 1 -0.264 -0.883 -0.058 0.00 0.00 +0.150 C ENDROOT BRANCH 1 13 ATOM 11 C LIG 1 -4.192 0.663 -1.034 0.00 0.00 -0.032 A ATOM 12 C LIG 1 -2.885 0.221 -0.717 0.00 0.00 +0.028 A ATOM 13 C LIG 1 -1.716 0.793 -1.257 0.00 0.00 +0.037 A ATOM 14 C LIG 1 -1.868 1.852 -2.153 0.00 0.00 +0.023 A ATOM 15 C LIG 1 -3.136 2.307 -2.513 0.00 0.00 +0.002 A ATOM 16 C LIG 1 -4.273 1.715 -1.968 0.00 0.00 +0.005 A BRANCH 11 17 ATOM 17 C LIG 1 -5.532 0.016 -0.400 0.00 0.00 +0.061 C ATOM 18 C LIG 1 -5.441 -1.145 0.649 0.00 0.00 +0.062 C ATOM 19 C LIG 1 -5.566 -2.150 -0.521 0.00 0.00 +0.142 C ATOM 20 F LIG 1 -4.370 -2.562 -1.015 0.00 0.00 -0.239 F ATOM 21 C LIG 1 -6.261 -1.023 -1.324 0.00 0.00 +0.062 C BRANCH 17 24 ATOM 22 C LIG 1 -4.934 2.373 1.716 0.00 0.00 +0.151 C ATOM 23 N LIG 1 -6.186 2.136 1.052 0.00 0.00 -0.320 N ATOM 24 C LIG 1 -6.490 1.156 0.146 0.00 0.00 +0.144 A ATOM 25 N LIG 1 -7.750 1.285 -0.213 0.00 0.00 -0.134 NA ATOM 26 N LIG 1 -8.275 2.362 0.460 0.00 0.00 -0.138 NA ATOM 27 C LIG 1 -7.324 2.865 1.210 0.00 0.00 +0.224 A ENDBRANCH 17 24 BRANCH 19 28 ATOM 28 C LIG 1 -6.436 -3.359 -0.232 0.00 0.00 +0.253 C ATOM 29 F LIG 1 -6.681 -4.011 -1.401 0.00 0.00 -0.246 F ENDBRANCH 19 28 ENDBRANCH 11 17 ENDBRANCH 1 13 BRANCH 8 30 ATOM 30 C LIG 1 1.302 -3.103 1.486 0.00 0.00 +0.418 C ATOM 31 F LIG 1 2.169 -3.884 2.185 0.00 0.00 -0.166 F ATOM 32 F LIG 1 0.428 -2.600 2.402 0.00 0.00 -0.166 F ATOM 33 F LIG 1 0.573 -3.947 0.707 0.00 0.00 -0.166 F ENDBRANCH 8 30 BRANCH 6 34 ATOM 34 C LIG 1 5.508 -0.847 -0.275 0.00 0.00 +0.116 C BRANCH 34 35 ATOM 35 N LIG 1 6.013 0.130 0.687 0.00 0.00 -0.307 NA ATOM 36 H LIG 1 5.759 -0.165 1.629 0.00 0.00 +0.123 HD BRANCH 35 37 ATOM 37 C LIG 1 7.447 0.404 0.514 0.00 0.00 +0.017 C ATOM 38 C LIG 1 7.765 1.673 1.361 0.00 0.00 +0.022 C ATOM 39 C LIG 1 8.536 2.215 0.139 0.00 0.00 +0.004 C ATOM 40 C LIG 1 7.663 1.295 -0.742 0.00 0.00 +0.022 C ATOM 41 C LIG 1 8.362 -0.783 0.747 0.00 0.00 +0.027 C ENDBRANCH 35 37 ENDBRANCH 34 35 ENDBRANCH 6 34 TORSDOF 8