REMARK Name = BDB032260 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.149 0.137 -0.210 0.00 0.00 -0.012 A ATOM 2 C LIG 1 -0.394 -0.698 0.759 0.00 0.00 +0.118 A ATOM 3 N LIG 1 -1.609 -1.289 0.665 0.00 0.00 -0.240 NA ATOM 4 C LIG 1 -2.329 -1.058 -0.447 0.00 0.00 +0.119 A ATOM 5 C LIG 1 -1.861 -0.254 -1.479 0.00 0.00 +0.044 A ATOM 6 C LIG 1 -0.611 0.350 -1.359 0.00 0.00 +0.010 A ENDROOT BRANCH 4 7 ATOM 7 N LIG 1 -3.566 -1.694 -0.497 0.00 0.00 -0.329 N ATOM 8 H LIG 1 -3.620 -2.223 0.373 0.00 0.00 +0.147 HD BRANCH 7 9 ATOM 9 C LIG 1 -4.731 -0.825 -0.692 0.00 0.00 +0.110 C BRANCH 9 10 ATOM 10 C LIG 1 -4.948 0.138 0.482 0.00 0.00 +0.093 C BRANCH 10 11 ATOM 11 C LIG 1 -6.237 0.880 0.334 0.00 0.00 +0.115 A ATOM 12 N LIG 1 -7.392 0.588 1.024 0.00 0.00 -0.278 N ATOM 13 C LIG 1 -8.357 1.470 0.612 0.00 0.00 +0.112 A ATOM 14 C LIG 1 -7.741 2.271 -0.317 0.00 0.00 +0.130 A ATOM 15 N LIG 1 -6.433 1.901 -0.478 0.00 0.00 -0.240 NA BRANCH 12 16 ATOM 16 C LIG 1 -7.556 -0.444 2.030 0.00 0.00 +0.449 C ATOM 17 F LIG 1 -7.100 -1.642 1.579 0.00 0.00 -0.185 F ATOM 18 F LIG 1 -8.861 -0.625 2.361 0.00 0.00 -0.185 F ENDBRANCH 12 16 ENDBRANCH 10 11 ENDBRANCH 9 10 ENDBRANCH 7 9 ENDBRANCH 4 7 BRANCH 1 19 ATOM 19 C LIG 1 1.508 0.751 -0.026 0.00 0.00 +0.138 C BRANCH 19 20 ATOM 20 N LIG 1 2.528 -0.277 -0.177 0.00 0.00 -0.340 N ATOM 21 H LIG 1 2.310 -0.935 -0.923 0.00 0.00 +0.146 HD BRANCH 20 26 ATOM 22 C LIG 1 8.095 0.790 -0.010 0.00 0.00 +0.124 A ATOM 23 C LIG 1 6.694 0.570 -0.039 0.00 0.00 +0.023 A ATOM 24 C LIG 1 6.219 -0.638 -0.601 0.00 0.00 +0.007 A ATOM 25 C LIG 1 4.817 -0.862 -0.632 0.00 0.00 +0.033 A ATOM 26 C LIG 1 3.880 0.071 -0.161 0.00 0.00 +0.028 A ATOM 27 C LIG 1 4.374 1.234 0.424 0.00 0.00 +0.023 A ATOM 28 C LIG 1 7.168 -1.556 -1.096 0.00 0.00 +0.067 A ATOM 29 CL LIG 1 6.734 -3.068 -1.810 0.00 0.00 -0.081 Cl ATOM 30 C LIG 1 8.514 -1.237 -1.016 0.00 0.00 +0.133 A ATOM 31 C LIG 1 5.749 1.488 0.472 0.00 0.00 +0.014 A ATOM 32 N LIG 1 8.990 -0.091 -0.488 0.00 0.00 -0.239 NA BRANCH 22 33 ATOM 33 N LIG 1 8.641 1.962 0.534 0.00 0.00 -0.343 N ATOM 34 H LIG 1 8.283 2.769 0.034 0.00 0.00 +0.144 HD ATOM 35 H LIG 1 8.376 2.038 1.511 0.00 0.00 +0.144 HD ENDBRANCH 22 33 ENDBRANCH 20 26 ENDBRANCH 19 20 ENDBRANCH 1 19 TORSDOF 9