REMARK Name = BDB034346 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.085 -1.132 1.533 0.00 0.00 +0.038 A ATOM 2 C LIG 1 1.268 -1.058 0.736 0.00 0.00 +0.021 A ATOM 3 C LIG 1 2.235 -2.080 0.887 0.00 0.00 +0.073 A ATOM 4 C LIG 1 3.384 -2.053 0.107 0.00 0.00 +0.032 A ATOM 5 C LIG 1 3.640 -1.036 -0.824 0.00 0.00 -0.041 A ATOM 6 C LIG 1 2.703 -0.015 -0.965 0.00 0.00 +0.005 A ATOM 7 N LIG 1 2.106 -3.086 1.763 0.00 0.00 -0.255 NA ATOM 8 C LIG 1 1.015 -3.095 2.548 0.00 0.00 +0.113 A ATOM 9 C LIG 1 1.538 -0.024 -0.195 0.00 0.00 +0.012 A ATOM 10 C LIG 1 0.006 -2.154 2.482 0.00 0.00 +0.043 A ENDROOT BRANCH 1 11 ATOM 11 N LIG 1 -0.897 -0.130 1.439 0.00 0.00 -0.343 N ATOM 12 H LIG 1 -0.954 0.252 0.498 0.00 0.00 +0.146 HD BRANCH 11 13 ATOM 13 C LIG 1 -2.220 -0.262 2.047 0.00 0.00 +0.103 C BRANCH 13 14 ATOM 14 C LIG 1 -3.106 -1.220 1.249 0.00 0.00 +0.034 C BRANCH 14 15 ATOM 15 C LIG 1 -4.500 -1.308 1.874 0.00 0.00 +0.083 C BRANCH 15 16 ATOM 16 N LIG 1 -5.400 -2.241 1.189 0.00 0.00 -0.312 NA ATOM 17 H LIG 1 -4.925 -3.135 1.068 0.00 0.00 +0.122 HD BRANCH 16 18 ATOM 18 C LIG 1 -5.845 -1.777 -0.132 0.00 0.00 +0.120 C BRANCH 18 20 ATOM 19 C LIG 1 -6.365 0.677 -0.642 0.00 0.00 +0.125 A ATOM 20 C LIG 1 -6.741 -0.558 -0.074 0.00 0.00 +0.011 A ATOM 21 C LIG 1 -7.987 -0.667 0.570 0.00 0.00 +0.046 A ATOM 22 C LIG 1 -8.836 0.427 0.640 0.00 0.00 +0.124 A ATOM 23 F LIG 1 -10.020 0.310 1.255 0.00 0.00 -0.205 F ATOM 24 C LIG 1 -8.475 1.643 0.079 0.00 0.00 +0.042 A ATOM 25 C LIG 1 -7.239 1.770 -0.561 0.00 0.00 +0.049 A BRANCH 19 27 ATOM 26 C LIG 1 -4.729 1.941 -1.838 0.00 0.00 +0.277 C ATOM 27 O LIG 1 -5.133 0.715 -1.241 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 4.908 -1.048 -1.646 0.00 0.00 +0.070 C BRANCH 28 29 ATOM 29 C LIG 1 5.853 0.092 -1.339 0.00 0.00 -0.043 A ATOM 30 C LIG 1 6.111 1.081 -2.300 0.00 0.00 +0.007 A ATOM 31 C LIG 1 6.986 2.139 -2.024 0.00 0.00 -0.050 A ATOM 32 C LIG 1 7.222 3.214 -3.043 0.00 0.00 +0.044 C ATOM 33 C LIG 1 7.592 2.214 -0.763 0.00 0.00 +0.006 A ATOM 34 C LIG 1 7.360 1.228 0.204 0.00 0.00 -0.050 A ATOM 35 C LIG 1 7.990 1.333 1.561 0.00 0.00 +0.044 C ATOM 36 C LIG 1 6.484 0.177 -0.089 0.00 0.00 +0.007 A ENDBRANCH 28 29 ENDBRANCH 5 28 TORSDOF 10