REMARK Name = BDB035473 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 0.297 -0.093 1.123 0.00 0.00 -0.263 N ATOM 2 C LIG 1 1.470 0.407 1.700 0.00 0.00 +0.251 C ATOM 3 O LIG 1 1.646 1.248 2.562 0.00 0.00 -0.270 OA ATOM 4 C LIG 1 2.593 -0.286 1.057 0.00 0.00 +0.043 A ATOM 5 C LIG 1 3.948 -0.133 1.289 0.00 0.00 +0.018 A ATOM 6 C LIG 1 4.834 -0.915 0.538 0.00 0.00 -0.032 A ATOM 7 C LIG 1 4.323 -1.815 -0.430 0.00 0.00 +0.017 A ATOM 8 C LIG 1 2.940 -1.960 -0.652 0.00 0.00 +0.061 A ATOM 9 C LIG 1 2.086 -1.173 0.115 0.00 0.00 -0.006 A ATOM 10 C LIG 1 0.594 -1.095 0.107 0.00 0.00 +0.150 C ENDROOT BRANCH 1 13 ATOM 11 C LIG 1 -3.467 0.075 1.061 0.00 0.00 -0.035 A ATOM 12 C LIG 1 -2.128 -0.279 0.770 0.00 0.00 +0.028 A ATOM 13 C LIG 1 -1.035 0.285 1.450 0.00 0.00 +0.037 A ATOM 14 C LIG 1 -1.312 1.222 2.449 0.00 0.00 +0.023 A ATOM 15 C LIG 1 -2.626 1.583 2.758 0.00 0.00 +0.002 A ATOM 16 C LIG 1 -3.696 1.016 2.070 0.00 0.00 +0.004 A BRANCH 11 17 ATOM 17 C LIG 1 -4.579 -0.576 0.239 0.00 0.00 +0.090 C BRANCH 17 18 ATOM 18 C LIG 1 -5.947 -0.577 0.955 0.00 0.00 +0.005 C ATOM 19 C LIG 1 -6.937 0.628 0.822 0.00 0.00 +0.016 C ATOM 20 C LIG 1 -7.837 -0.263 0.012 0.00 0.00 +0.018 C ATOM 21 C LIG 1 -8.122 0.087 -1.419 0.00 0.00 +0.169 C ATOM 22 O LIG 1 -9.516 0.361 -1.077 0.00 0.00 -0.379 OA ATOM 23 C LIG 1 -9.315 -0.216 0.246 0.00 0.00 +0.169 C ATOM 24 C LIG 1 -7.057 -1.499 0.345 0.00 0.00 +0.016 C ENDBRANCH 17 18 BRANCH 17 27 ATOM 25 C LIG 1 -3.961 2.324 -1.078 0.00 0.00 +0.151 C ATOM 26 N LIG 1 -4.377 1.111 -1.729 0.00 0.00 -0.320 N ATOM 27 C LIG 1 -4.641 -0.131 -1.198 0.00 0.00 +0.141 A ATOM 28 N LIG 1 -4.978 -0.934 -2.193 0.00 0.00 -0.134 NA ATOM 29 N LIG 1 -4.947 -0.225 -3.364 0.00 0.00 -0.138 NA ATOM 30 C LIG 1 -4.580 0.998 -3.074 0.00 0.00 +0.224 A ENDBRANCH 17 27 ENDBRANCH 11 17 ENDBRANCH 1 13 BRANCH 8 31 ATOM 31 C LIG 1 2.400 -2.911 -1.686 0.00 0.00 +0.418 C ATOM 32 F LIG 1 1.499 -3.784 -1.157 0.00 0.00 -0.166 F ATOM 33 F LIG 1 1.742 -2.260 -2.685 0.00 0.00 -0.166 F ATOM 34 F LIG 1 3.352 -3.671 -2.290 0.00 0.00 -0.166 F ENDBRANCH 8 31 BRANCH 6 35 ATOM 35 C LIG 1 6.330 -0.779 0.729 0.00 0.00 +0.116 C BRANCH 35 36 ATOM 36 N LIG 1 6.917 -0.053 -0.397 0.00 0.00 -0.307 NA ATOM 37 H LIG 1 6.366 0.790 -0.559 0.00 0.00 +0.123 HD BRANCH 36 38 ATOM 38 C LIG 1 8.364 0.197 -0.221 0.00 0.00 +0.017 C ATOM 39 C LIG 1 8.815 1.102 -1.405 0.00 0.00 +0.022 C ATOM 40 C LIG 1 8.538 2.339 -0.528 0.00 0.00 +0.004 C ATOM 41 C LIG 1 8.592 1.420 0.709 0.00 0.00 +0.022 C ATOM 42 C LIG 1 9.210 -1.044 -0.018 0.00 0.00 +0.027 C ENDBRANCH 36 38 ENDBRANCH 35 36 ENDBRANCH 6 35 TORSDOF 8