REMARK Name = BDB039932 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.618 -1.823 -0.140 0.00 0.00 -0.263 N ATOM 2 C LIG 1 -0.187 -0.519 -0.408 0.00 0.00 +0.251 C ATOM 3 O LIG 1 -0.782 0.543 -0.409 0.00 0.00 -0.270 OA ATOM 4 C LIG 1 1.245 -0.599 -0.726 0.00 0.00 +0.043 A ATOM 5 C LIG 1 2.115 0.426 -1.052 0.00 0.00 +0.018 A ATOM 6 C LIG 1 3.451 0.094 -1.309 0.00 0.00 -0.032 A ATOM 7 C LIG 1 3.861 -1.260 -1.233 0.00 0.00 +0.017 A ATOM 8 C LIG 1 2.963 -2.291 -0.900 0.00 0.00 +0.061 A ATOM 9 C LIG 1 1.644 -1.928 -0.647 0.00 0.00 -0.006 A ATOM 10 C LIG 1 0.475 -2.779 -0.270 0.00 0.00 +0.150 C ENDROOT BRANCH 1 13 ATOM 11 C LIG 1 -4.301 -1.684 0.668 0.00 0.00 -0.036 A ATOM 12 C LIG 1 -2.986 -1.306 0.324 0.00 0.00 +0.027 A ATOM 13 C LIG 1 -1.936 -2.228 0.211 0.00 0.00 +0.037 A ATOM 14 C LIG 1 -2.230 -3.577 0.454 0.00 0.00 +0.023 A ATOM 15 C LIG 1 -3.523 -3.983 0.793 0.00 0.00 +0.002 A ATOM 16 C LIG 1 -4.547 -3.045 0.895 0.00 0.00 +0.004 A BRANCH 11 17 ATOM 17 C LIG 1 -5.417 -0.640 0.766 0.00 0.00 +0.034 C ATOM 18 C LIG 1 -5.215 0.500 1.765 0.00 0.00 +0.016 C ATOM 19 C LIG 1 -6.203 -0.583 2.075 0.00 0.00 +0.016 C BRANCH 17 20 ATOM 20 C LIG 1 -6.167 -0.408 -0.558 0.00 0.00 +0.244 C ATOM 21 F LIG 1 -5.234 -0.293 -1.556 0.00 0.00 -0.236 F BRANCH 20 24 ATOM 22 C LIG 1 -5.514 2.445 -1.607 0.00 0.00 +0.151 C ATOM 23 N LIG 1 -6.786 1.995 -1.105 0.00 0.00 -0.318 N ATOM 24 C LIG 1 -7.111 0.749 -0.632 0.00 0.00 +0.168 A ATOM 25 N LIG 1 -8.379 0.760 -0.266 0.00 0.00 -0.132 NA ATOM 26 N LIG 1 -8.881 2.019 -0.492 0.00 0.00 -0.138 NA ATOM 27 C LIG 1 -7.915 2.747 -0.999 0.00 0.00 +0.224 A ENDBRANCH 20 24 ENDBRANCH 17 20 ENDBRANCH 11 17 ENDBRANCH 1 13 BRANCH 8 28 ATOM 28 C LIG 1 3.403 -3.727 -0.807 0.00 0.00 +0.418 C ATOM 29 F LIG 1 4.707 -3.931 -1.133 0.00 0.00 -0.166 F ATOM 30 F LIG 1 2.679 -4.538 -1.628 0.00 0.00 -0.166 F ATOM 31 F LIG 1 3.240 -4.234 0.446 0.00 0.00 -0.166 F ENDBRANCH 8 28 BRANCH 6 32 ATOM 32 C LIG 1 4.456 1.173 -1.665 0.00 0.00 +0.119 C BRANCH 32 33 ATOM 33 N LIG 1 5.567 1.237 -0.715 0.00 0.00 -0.298 NA ATOM 34 C LIG 1 5.155 1.719 0.615 0.00 0.00 +0.091 C ATOM 35 C LIG 1 6.462 2.219 1.189 0.00 0.00 -0.015 C ATOM 36 C LIG 1 6.464 3.225 2.320 0.00 0.00 +0.009 C ATOM 37 C LIG 1 6.898 1.813 2.581 0.00 0.00 +0.009 C ATOM 38 C LIG 1 7.476 2.311 0.085 0.00 0.00 +0.023 C ATOM 39 C LIG 1 6.619 2.157 -1.165 0.00 0.00 +0.085 C ENDBRANCH 32 33 ENDBRANCH 6 32 TORSDOF 7