REMARK Name = BDB027428 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.763 -0.239 0.285 0.00 0.00 -0.003 A ATOM 2 C LIG 1 0.232 0.452 -0.427 0.00 0.00 +0.053 A ATOM 3 C LIG 1 0.133 1.845 -0.401 0.00 0.00 +0.134 A ATOM 4 N LIG 1 -0.821 2.561 0.249 0.00 0.00 -0.253 NA ATOM 5 C LIG 1 -1.763 1.881 0.936 0.00 0.00 +0.071 A ATOM 6 C LIG 1 -1.761 0.489 0.966 0.00 0.00 +0.035 A ENDROOT BRANCH 5 7 ATOM 7 C LIG 1 -2.781 2.708 1.621 0.00 0.00 +0.003 A ATOM 8 C LIG 1 -3.437 2.275 2.788 0.00 0.00 +0.051 A ATOM 9 C LIG 1 -4.392 3.080 3.411 0.00 0.00 +0.159 A ATOM 10 F LIG 1 -4.996 2.634 4.521 0.00 0.00 -0.202 F ATOM 11 C LIG 1 -4.713 4.326 2.894 0.00 0.00 +0.158 A ATOM 12 F LIG 1 -5.631 5.093 3.497 0.00 0.00 -0.202 F ATOM 13 C LIG 1 -4.081 4.788 1.749 0.00 0.00 +0.042 A ATOM 14 C LIG 1 -3.122 3.984 1.122 0.00 0.00 +0.013 A ENDBRANCH 5 7 BRANCH 2 15 ATOM 15 N LIG 1 1.234 -0.243 -1.109 0.00 0.00 -0.326 N ATOM 16 C LIG 1 2.367 -0.709 -0.272 0.00 0.00 +0.132 C ATOM 17 C LIG 1 3.628 0.236 -0.290 0.00 0.00 +0.061 C ATOM 18 C LIG 1 3.972 0.499 -1.781 0.00 0.00 +0.030 C ATOM 19 C LIG 1 2.790 1.065 -2.571 0.00 0.00 +0.021 C ATOM 20 C LIG 1 1.563 0.165 -2.480 0.00 0.00 +0.105 C BRANCH 17 21 ATOM 21 C LIG 1 4.772 -0.418 0.498 0.00 0.00 +0.012 A ATOM 22 C LIG 1 4.613 -0.724 1.858 0.00 0.00 +0.146 A ATOM 23 F LIG 1 3.469 -0.437 2.496 0.00 0.00 -0.204 F ATOM 24 C LIG 1 5.648 -1.314 2.566 0.00 0.00 +0.149 A ATOM 25 N LIG 1 6.844 -1.626 2.023 0.00 0.00 -0.260 NA ATOM 26 C LIG 1 7.003 -1.321 0.719 0.00 0.00 +0.111 A ATOM 27 C LIG 1 6.020 -0.728 -0.067 0.00 0.00 +0.028 A ENDBRANCH 17 21 BRANCH 17 28 ATOM 28 N LIG 1 3.341 1.559 0.304 0.00 0.00 -0.320 NA ATOM 29 H LIG 1 2.938 1.435 1.234 0.00 0.00 +0.119 HD ATOM 30 H LIG 1 4.207 2.082 0.427 0.00 0.00 +0.119 HD ENDBRANCH 17 28 ENDBRANCH 2 15 BRANCH 1 31 ATOM 31 C LIG 1 -0.860 -1.745 0.277 0.00 0.00 +0.161 C BRANCH 31 36 ATOM 32 C LIG 1 -4.825 -3.333 -2.004 0.00 0.00 +0.147 A ATOM 33 C LIG 1 -3.479 -2.951 -1.872 0.00 0.00 +0.147 A ATOM 34 N LIG 1 -2.429 -2.910 -2.769 0.00 0.00 -0.231 NA ATOM 35 C LIG 1 -1.409 -2.463 -2.067 0.00 0.00 +0.202 A ATOM 36 N LIG 1 -1.754 -2.208 -0.766 0.00 0.00 -0.310 N ATOM 37 C LIG 1 -3.078 -2.513 -0.620 0.00 0.00 +0.166 A ATOM 38 N LIG 1 -3.833 -2.412 0.488 0.00 0.00 -0.216 NA ATOM 39 C LIG 1 -5.102 -2.794 0.237 0.00 0.00 +0.225 A ATOM 40 N LIG 1 -5.634 -3.233 -0.925 0.00 0.00 -0.219 NA BRANCH 32 41 ATOM 41 N LIG 1 -5.373 -3.792 -3.196 0.00 0.00 -0.341 N ATOM 42 H LIG 1 -4.836 -3.519 -4.012 0.00 0.00 +0.144 HD ATOM 43 H LIG 1 -6.375 -3.661 -3.226 0.00 0.00 +0.144 HD ENDBRANCH 32 41 ENDBRANCH 31 36 ENDBRANCH 1 31 TORSDOF 7