REMARK Name = BDB035375 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.450 -1.057 0.195 0.00 0.00 -0.248 N ATOM 2 C LIG 1 0.445 -0.320 -0.564 0.00 0.00 +0.253 C ATOM 3 O LIG 1 0.268 0.419 -1.514 0.00 0.00 -0.270 OA ATOM 4 C LIG 1 1.779 -0.577 -0.005 0.00 0.00 +0.043 A ATOM 5 C LIG 1 2.998 -0.065 -0.411 0.00 0.00 +0.018 A ATOM 6 C LIG 1 4.141 -0.462 0.294 0.00 0.00 -0.032 A ATOM 7 C LIG 1 4.014 -1.351 1.390 0.00 0.00 +0.017 A ATOM 8 C LIG 1 2.765 -1.866 1.789 0.00 0.00 +0.061 A ATOM 9 C LIG 1 1.649 -1.458 1.065 0.00 0.00 -0.006 A ATOM 10 C LIG 1 0.208 -1.817 1.246 0.00 0.00 +0.151 C ENDROOT BRANCH 1 13 ATOM 11 C LIG 1 -3.933 -0.535 -1.060 0.00 0.00 -0.029 A ATOM 12 C LIG 1 -2.533 -0.439 -0.938 0.00 0.00 +0.048 A ATOM 13 C LIG 1 -1.846 -1.139 0.046 0.00 0.00 +0.129 A ATOM 14 N LIG 1 -2.496 -1.937 0.921 0.00 0.00 -0.236 NA ATOM 15 C LIG 1 -3.839 -2.086 0.836 0.00 0.00 +0.047 A ATOM 16 C LIG 1 -4.559 -1.394 -0.141 0.00 0.00 +0.028 A BRANCH 11 17 ATOM 17 C LIG 1 -4.727 0.291 -2.197 0.00 0.00 +0.066 C ATOM 18 C LIG 1 -6.245 0.016 -2.456 0.00 0.00 +0.095 C ATOM 19 C LIG 1 -5.819 -1.012 -3.523 0.00 0.00 +0.251 C ATOM 20 F LIG 1 -6.601 -1.069 -4.623 0.00 0.00 -0.206 F ATOM 21 F LIG 1 -5.695 -2.281 -3.071 0.00 0.00 -0.206 F ATOM 22 C LIG 1 -4.505 -0.222 -3.666 0.00 0.00 +0.095 C BRANCH 17 25 ATOM 23 C LIG 1 -5.128 2.209 0.373 0.00 0.00 +0.151 C ATOM 24 N LIG 1 -4.658 2.617 -0.921 0.00 0.00 -0.320 N ATOM 25 C LIG 1 -4.468 1.845 -2.036 0.00 0.00 +0.144 A ATOM 26 N LIG 1 -4.044 2.615 -3.016 0.00 0.00 -0.134 NA ATOM 27 N LIG 1 -3.949 3.900 -2.539 0.00 0.00 -0.138 NA ATOM 28 C LIG 1 -4.314 3.884 -1.279 0.00 0.00 +0.224 A ENDBRANCH 17 25 ENDBRANCH 11 17 BRANCH 15 29 ATOM 29 C LIG 1 -4.481 -3.022 1.841 0.00 0.00 +0.038 C ATOM 30 C LIG 1 -5.628 -3.929 1.461 0.00 0.00 +0.010 C ATOM 31 C LIG 1 -5.863 -2.779 2.400 0.00 0.00 +0.010 C ENDBRANCH 15 29 ENDBRANCH 1 13 BRANCH 8 32 ATOM 32 C LIG 1 2.633 -2.806 2.956 0.00 0.00 +0.418 C ATOM 33 F LIG 1 2.032 -3.978 2.608 0.00 0.00 -0.166 F ATOM 34 F LIG 1 1.871 -2.282 3.956 0.00 0.00 -0.166 F ATOM 35 F LIG 1 3.820 -3.148 3.526 0.00 0.00 -0.166 F ENDBRANCH 8 32 BRANCH 6 36 ATOM 36 C LIG 1 5.502 0.084 -0.082 0.00 0.00 +0.116 C BRANCH 36 37 ATOM 37 N LIG 1 5.918 1.103 0.882 0.00 0.00 -0.307 NA ATOM 38 H LIG 1 5.158 1.778 0.977 0.00 0.00 +0.123 HD BRANCH 37 39 ATOM 39 C LIG 1 7.213 1.709 0.530 0.00 0.00 +0.017 C ATOM 40 C LIG 1 7.388 2.972 1.428 0.00 0.00 +0.022 C ATOM 41 C LIG 1 7.823 3.734 0.158 0.00 0.00 +0.004 C ATOM 42 C LIG 1 7.042 2.689 -0.665 0.00 0.00 +0.022 C ATOM 43 C LIG 1 8.391 0.751 0.535 0.00 0.00 +0.027 C ENDBRANCH 37 39 ENDBRANCH 36 37 ENDBRANCH 6 36 TORSDOF 8