REMARK Name = BDB034437 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.939 -0.631 -1.247 0.00 0.00 +0.038 A ATOM 2 C LIG 1 2.304 -0.228 -1.121 0.00 0.00 +0.021 A ATOM 3 C LIG 1 3.250 -0.805 -2.001 0.00 0.00 +0.073 A ATOM 4 C LIG 1 4.581 -0.416 -1.921 0.00 0.00 +0.032 A ATOM 5 C LIG 1 5.038 0.524 -0.986 0.00 0.00 -0.041 A ATOM 6 C LIG 1 4.117 1.081 -0.101 0.00 0.00 +0.005 A ATOM 7 N LIG 1 2.931 -1.730 -2.916 0.00 0.00 -0.255 NA ATOM 8 C LIG 1 1.651 -2.138 -2.971 0.00 0.00 +0.113 A ATOM 9 C LIG 1 2.772 0.709 -0.167 0.00 0.00 +0.012 A ATOM 10 C LIG 1 0.645 -1.640 -2.166 0.00 0.00 +0.043 A ENDROOT BRANCH 1 11 ATOM 11 N LIG 1 -0.036 -0.108 -0.382 0.00 0.00 -0.343 N ATOM 12 H LIG 1 0.169 0.852 -0.114 0.00 0.00 +0.146 HD BRANCH 11 13 ATOM 13 C LIG 1 -1.470 -0.312 -0.581 0.00 0.00 +0.103 C BRANCH 13 14 ATOM 14 C LIG 1 -2.009 0.572 -1.706 0.00 0.00 +0.034 C BRANCH 14 15 ATOM 15 C LIG 1 -3.490 0.328 -2.009 0.00 0.00 +0.083 C BRANCH 15 16 ATOM 16 N LIG 1 -4.349 0.722 -0.893 0.00 0.00 -0.312 NA ATOM 17 H LIG 1 -4.188 0.111 -0.092 0.00 0.00 +0.122 HD BRANCH 16 18 ATOM 18 C LIG 1 -5.764 0.592 -1.253 0.00 0.00 +0.120 C BRANCH 18 20 ATOM 19 C LIG 1 -7.066 -0.042 0.851 0.00 0.00 +0.125 A ATOM 20 C LIG 1 -6.644 0.938 -0.072 0.00 0.00 +0.011 A ATOM 21 C LIG 1 -7.013 2.279 0.130 0.00 0.00 +0.046 A ATOM 22 C LIG 1 -7.808 2.627 1.213 0.00 0.00 +0.124 A ATOM 23 F LIG 1 -8.159 3.907 1.392 0.00 0.00 -0.205 F ATOM 24 C LIG 1 -8.243 1.666 2.114 0.00 0.00 +0.042 A ATOM 25 C LIG 1 -7.870 0.331 1.936 0.00 0.00 +0.049 A BRANCH 19 27 ATOM 26 C LIG 1 -7.048 -2.336 1.511 0.00 0.00 +0.277 C ATOM 27 O LIG 1 -6.634 -1.319 0.607 0.00 0.00 -0.495 OA ENDBRANCH 19 27 ENDBRANCH 18 20 ENDBRANCH 16 18 ENDBRANCH 15 16 ENDBRANCH 14 15 ENDBRANCH 13 14 ENDBRANCH 11 13 ENDBRANCH 1 11 BRANCH 5 28 ATOM 28 C LIG 1 6.498 0.903 -0.927 0.00 0.00 +0.070 C BRANCH 28 29 ATOM 29 C LIG 1 7.223 0.350 0.281 0.00 0.00 -0.043 A ATOM 30 C LIG 1 7.471 -1.026 0.393 0.00 0.00 +0.005 A ATOM 31 C LIG 1 8.134 -1.539 1.511 0.00 0.00 +0.019 A ATOM 32 C LIG 1 8.557 -0.681 2.530 0.00 0.00 +0.052 A ATOM 33 C LIG 1 8.314 0.692 2.426 0.00 0.00 +0.019 A ATOM 34 C LIG 1 7.650 1.204 1.308 0.00 0.00 +0.005 A BRANCH 32 35 ATOM 35 C LIG 1 9.236 -1.206 3.679 0.00 0.00 +0.099 C ATOM 36 N LIG 1 9.787 -1.629 4.609 0.00 0.00 -0.191 NA ENDBRANCH 32 35 ENDBRANCH 28 29 ENDBRANCH 5 28 TORSDOF 11