REMARK Name = BDB063124 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 F LIG 1 -5.073 1.089 3.005 0.00 0.00 -0.202 F ATOM 2 C LIG 1 -4.089 1.005 2.100 0.00 0.00 +0.167 A ATOM 3 C LIG 1 -4.312 0.751 0.761 0.00 0.00 +0.111 A ATOM 4 N LIG 1 -3.285 0.698 -0.127 0.00 0.00 -0.211 NA ATOM 5 C LIG 1 -2.031 0.872 0.333 0.00 0.00 +0.221 A ATOM 6 N LIG 1 -1.751 1.144 1.616 0.00 0.00 -0.220 NA ATOM 7 C LIG 1 -2.785 1.197 2.475 0.00 0.00 +0.155 A ENDROOT BRANCH 3 8 ATOM 8 C LIG 1 -5.655 0.528 0.181 0.00 0.00 +0.005 A ATOM 9 C LIG 1 -5.940 0.956 -1.133 0.00 0.00 +0.039 A ATOM 10 C LIG 1 -7.210 0.754 -1.714 0.00 0.00 +0.079 A ATOM 11 C LIG 1 -8.194 0.111 -0.964 0.00 0.00 +0.039 A ATOM 12 S LIG 1 -9.634 -0.003 -1.905 0.00 0.00 -0.075 S ATOM 13 C LIG 1 -8.841 0.794 -3.196 0.00 0.00 +0.157 A ATOM 14 C LIG 1 -7.951 -0.337 0.341 0.00 0.00 +0.018 A ATOM 15 N LIG 1 -7.591 1.141 -2.990 0.00 0.00 -0.247 NA ATOM 16 C LIG 1 -6.679 -0.120 0.890 0.00 0.00 +0.011 A ENDBRANCH 3 8 BRANCH 5 17 ATOM 17 N LIG 1 -1.034 0.829 -0.638 0.00 0.00 -0.268 N ATOM 18 H LIG 1 -1.472 0.536 -1.500 0.00 0.00 +0.156 HD BRANCH 17 19 ATOM 19 C LIG 1 0.257 0.295 -0.495 0.00 0.00 +0.125 A ATOM 20 N LIG 1 0.620 -0.378 0.615 0.00 0.00 -0.240 NA ATOM 21 C LIG 1 1.883 -0.858 0.692 0.00 0.00 +0.117 A ATOM 22 C LIG 1 2.842 -0.707 -0.300 0.00 0.00 -0.015 A ATOM 23 C LIG 1 2.450 -0.027 -1.452 0.00 0.00 +0.010 A ATOM 24 C LIG 1 1.155 0.481 -1.546 0.00 0.00 +0.044 A BRANCH 22 25 ATOM 25 C LIG 1 4.221 -1.301 -0.144 0.00 0.00 +0.121 C BRANCH 25 26 ATOM 26 N LIG 1 5.300 -0.385 -0.548 0.00 0.00 -0.296 NA ATOM 27 C LIG 1 5.486 0.731 0.411 0.00 0.00 +0.100 C ATOM 28 C LIG 1 6.706 0.608 1.359 0.00 0.00 +0.096 C ATOM 29 N LIG 1 6.984 -0.776 1.771 0.00 0.00 -0.314 NA ATOM 30 H LIG 1 6.150 -1.129 2.239 0.00 0.00 +0.122 HD ATOM 31 C LIG 1 7.232 -1.608 0.579 0.00 0.00 +0.096 C ATOM 32 C LIG 1 6.573 -1.105 -0.730 0.00 0.00 +0.100 C ENDBRANCH 25 26 ENDBRANCH 22 25 ENDBRANCH 17 19 ENDBRANCH 5 17 TORSDOF 5