REMARK Name = BDB027436 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.242 1.144 0.853 0.00 0.00 +0.053 A ATOM 2 C LIG 1 -1.593 0.864 1.117 0.00 0.00 -0.003 A ATOM 3 C LIG 1 -2.584 1.666 0.516 0.00 0.00 +0.035 A ATOM 4 C LIG 1 -2.229 2.709 -0.340 0.00 0.00 +0.071 A ATOM 5 N LIG 1 -0.931 2.979 -0.609 0.00 0.00 -0.253 NA ATOM 6 C LIG 1 0.012 2.209 -0.017 0.00 0.00 +0.134 A ENDROOT BRANCH 4 7 ATOM 7 C LIG 1 -3.218 3.580 -1.013 0.00 0.00 +0.001 A ATOM 8 C LIG 1 -4.471 3.878 -0.441 0.00 0.00 +0.013 A ATOM 9 C LIG 1 -5.391 4.704 -1.097 0.00 0.00 +0.039 A ATOM 10 C LIG 1 -5.069 5.246 -2.333 0.00 0.00 +0.123 A ATOM 11 F LIG 1 -5.950 6.037 -2.958 0.00 0.00 -0.205 F ATOM 12 C LIG 1 -3.843 4.982 -2.924 0.00 0.00 +0.039 A ATOM 13 C LIG 1 -2.926 4.157 -2.267 0.00 0.00 +0.013 A ENDBRANCH 4 7 BRANCH 1 16 ATOM 14 C LIG 1 2.776 -1.091 1.270 0.00 0.00 +0.076 C ATOM 15 C LIG 1 1.883 -0.017 0.559 0.00 0.00 +0.133 C ATOM 16 N LIG 1 0.772 0.383 1.477 0.00 0.00 -0.326 N ATOM 17 C LIG 1 1.285 1.080 2.678 0.00 0.00 +0.105 C ATOM 18 C LIG 1 2.197 0.136 3.462 0.00 0.00 +0.021 C ATOM 19 C LIG 1 3.308 -0.459 2.585 0.00 0.00 +0.031 C BRANCH 14 22 ATOM 20 C LIG 1 5.276 -1.166 -1.484 0.00 0.00 +0.059 A ATOM 21 N LIG 1 4.214 -0.776 -0.733 0.00 0.00 -0.252 NA ATOM 22 C LIG 1 3.952 -1.503 0.387 0.00 0.00 +0.081 A ATOM 23 C LIG 1 4.758 -2.587 0.732 0.00 0.00 +0.136 A ATOM 24 N LIG 1 5.827 -2.979 -0.001 0.00 0.00 -0.260 NA ATOM 25 C LIG 1 6.066 -2.247 -1.111 0.00 0.00 +0.134 A BRANCH 20 27 ATOM 26 C LIG 1 6.550 0.774 -2.411 0.00 0.00 +0.010 C ATOM 27 C LIG 1 5.591 -0.365 -2.716 0.00 0.00 +0.053 C ENDBRANCH 20 27 ENDBRANCH 14 22 BRANCH 14 28 ATOM 28 N LIG 1 1.924 -2.266 1.618 0.00 0.00 -0.319 NA ATOM 29 H LIG 1 1.063 -1.882 2.020 0.00 0.00 +0.119 HD ATOM 30 H LIG 1 1.608 -2.695 0.746 0.00 0.00 +0.119 HD ENDBRANCH 14 28 ENDBRANCH 1 16 BRANCH 2 31 ATOM 31 C LIG 1 -1.993 -0.256 2.051 0.00 0.00 +0.160 C BRANCH 31 32 ATOM 32 N LIG 1 -2.986 -1.150 1.473 0.00 0.00 -0.326 N ATOM 33 C LIG 1 -2.802 -2.019 0.423 0.00 0.00 +0.071 A ATOM 34 C LIG 1 -4.034 -2.656 0.295 0.00 0.00 +0.110 A ATOM 35 C LIG 1 -4.223 -3.636 -0.706 0.00 0.00 +0.052 A ATOM 36 C LIG 1 -3.142 -3.914 -1.556 0.00 0.00 +0.025 A ATOM 37 C LIG 1 -1.915 -3.261 -1.409 0.00 0.00 +0.004 A ATOM 38 N LIG 1 -4.927 -2.205 1.247 0.00 0.00 -0.234 NA ATOM 39 C LIG 1 -1.717 -2.299 -0.413 0.00 0.00 +0.028 A ATOM 40 C LIG 1 -4.263 -1.308 1.939 0.00 0.00 +0.200 A BRANCH 35 41 ATOM 41 N LIG 1 -5.457 -4.289 -0.892 0.00 0.00 -0.356 N ATOM 42 H LIG 1 -5.356 -5.298 -0.911 0.00 0.00 +0.142 HD ATOM 43 H LIG 1 -6.108 -3.987 -0.164 0.00 0.00 +0.142 HD ENDBRANCH 35 41 ENDBRANCH 31 32 ENDBRANCH 2 31 TORSDOF 8