REMARK Name = BDB010932 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 3.644 -0.908 -1.589 0.00 0.00 -0.032 A ATOM 2 C LIG 1 2.317 -0.914 -1.137 0.00 0.00 +0.019 A ATOM 3 C LIG 1 1.274 -0.488 -1.970 0.00 0.00 +0.051 A ATOM 4 C LIG 1 1.557 -0.053 -3.257 0.00 0.00 +0.019 A ATOM 5 C LIG 1 0.417 0.382 -4.059 0.00 0.00 +0.142 A ATOM 6 N LIG 1 -0.806 0.411 -3.642 0.00 0.00 -0.171 NA ATOM 7 N LIG 1 -1.101 0.002 -2.355 0.00 0.00 -0.196 N ATOM 8 C LIG 1 2.876 -0.038 -3.744 0.00 0.00 +0.064 A ATOM 9 C LIG 1 -0.125 -0.509 -1.483 0.00 0.00 +0.280 A ATOM 10 O LIG 1 -0.313 -0.996 -0.371 0.00 0.00 -0.265 OA ATOM 11 C LIG 1 3.911 -0.474 -2.895 0.00 0.00 +0.018 A ENDROOT BRANCH 7 12 ATOM 12 C LIG 1 -2.499 0.120 -2.021 0.00 0.00 +0.070 A ATOM 13 C LIG 1 -2.989 -0.018 -0.711 0.00 0.00 +0.032 A ATOM 14 C LIG 1 -4.362 0.101 -0.364 0.00 0.00 -0.032 A ATOM 15 C LIG 1 -5.248 0.364 -1.424 0.00 0.00 +0.005 A ATOM 16 C LIG 1 -4.798 0.519 -2.733 0.00 0.00 +0.002 A ATOM 17 C LIG 1 -3.439 0.404 -3.023 0.00 0.00 +0.028 A BRANCH 14 18 ATOM 18 C LIG 1 -4.835 -0.050 1.175 0.00 0.00 +0.056 C ATOM 19 C LIG 1 -6.351 -0.304 1.505 0.00 0.00 +0.022 C ATOM 20 C LIG 1 -6.053 -1.821 1.450 0.00 0.00 -0.012 C ATOM 21 C LIG 1 -6.806 -2.695 2.432 0.00 0.00 +0.007 C ATOM 22 C LIG 1 -4.592 -1.469 1.818 0.00 0.00 +0.022 C BRANCH 18 23 ATOM 23 C LIG 1 -4.250 1.136 2.047 0.00 0.00 +0.144 A ATOM 24 N LIG 1 -4.425 2.479 1.851 0.00 0.00 -0.320 N ATOM 25 C LIG 1 -5.177 3.132 0.817 0.00 0.00 +0.151 C ATOM 26 C LIG 1 -3.733 3.099 2.845 0.00 0.00 +0.224 A ATOM 27 N LIG 1 -3.176 2.200 3.619 0.00 0.00 -0.138 NA ATOM 28 N LIG 1 -3.498 0.962 3.115 0.00 0.00 -0.134 NA ENDBRANCH 18 23 ENDBRANCH 14 18 ENDBRANCH 7 12 BRANCH 8 29 ATOM 29 C LIG 1 3.199 0.430 -5.138 0.00 0.00 +0.418 C ATOM 30 F LIG 1 2.579 -0.317 -6.090 0.00 0.00 -0.166 F ATOM 31 F LIG 1 2.812 1.716 -5.354 0.00 0.00 -0.166 F ATOM 32 F LIG 1 4.526 0.386 -5.436 0.00 0.00 -0.166 F ENDBRANCH 8 29 BRANCH 1 33 ATOM 33 C LIG 1 4.764 -1.373 -0.678 0.00 0.00 +0.119 C BRANCH 33 36 ATOM 34 C LIG 1 6.006 -0.391 2.771 0.00 0.00 +0.078 C ATOM 35 C LIG 1 5.603 -1.293 1.591 0.00 0.00 +0.101 C ATOM 36 N LIG 1 4.872 -0.561 0.539 0.00 0.00 -0.297 NA ATOM 37 C LIG 1 5.385 0.796 0.301 0.00 0.00 +0.085 C ATOM 38 C LIG 1 6.811 1.016 0.802 0.00 0.00 +0.017 C ATOM 39 C LIG 1 6.931 0.744 2.301 0.00 0.00 +0.019 C BRANCH 34 41 ATOM 40 C LIG 1 7.169 -1.820 4.715 0.00 0.00 +0.004 C ATOM 41 C LIG 1 6.651 -1.180 3.841 0.00 0.00 -0.101 C ENDBRANCH 34 41 ENDBRANCH 33 36 ENDBRANCH 1 33 TORSDOF 7