REMARK Name = BDB056701 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.049 0.328 -0.647 0.00 0.00 +0.234 C ATOM 2 N LIG 1 -1.167 -0.436 -0.950 0.00 0.00 -0.268 N ATOM 3 C LIG 1 -2.300 -0.578 -0.130 0.00 0.00 +0.058 A ATOM 4 C LIG 1 -3.243 -1.404 -0.718 0.00 0.00 +0.070 A ATOM 5 N LIG 1 -4.432 -1.729 -0.175 0.00 0.00 -0.251 NA ATOM 6 CA LIG 1 -4.704 -1.185 1.051 0.00 0.00 +0.070 A ATOM 7 C LIG 1 -3.804 -0.339 1.730 0.00 0.00 -0.018 A ATOM 8 C LIG 1 -2.768 -1.925 -2.055 0.00 0.00 +0.025 C ATOM 9 C LIG 1 -2.594 -3.446 -2.011 0.00 0.00 +0.019 C ATOM 10 C LIG 1 -3.725 -1.521 -3.178 0.00 0.00 +0.019 C ATOM 11 C LIG 1 -2.575 -0.039 1.111 0.00 0.00 +0.031 A ATOM 12 C LIG 1 -1.402 -1.206 -2.187 0.00 0.00 +0.126 C ATOM 13 O LIG 1 0.062 0.993 0.387 0.00 0.00 -0.274 OA ENDROOT BRANCH 1 14 ATOM 14 C LIG 1 1.100 0.318 -1.675 0.00 0.00 +0.181 C BRANCH 14 21 ATOM 15 C LIG 1 3.230 -3.986 -0.357 0.00 0.00 +0.025 C ATOM 16 C LIG 1 3.319 -2.464 -0.235 0.00 0.00 +0.065 C ATOM 17 N LIG 1 4.646 -1.992 -0.654 0.00 0.00 -0.311 NA ATOM 18 H LIG 1 5.315 -2.753 -0.736 0.00 0.00 +0.122 HD ATOM 19 C LIG 1 4.604 -1.194 -1.880 0.00 0.00 +0.101 C ATOM 20 C LIG 1 3.520 -0.065 -1.927 0.00 0.00 +0.085 C ATOM 21 N LIG 1 2.296 -0.348 -1.126 0.00 0.00 -0.287 NA ATOM 22 C LIG 1 2.115 -1.798 -0.962 0.00 0.00 +0.103 C BRANCH 20 23 ATOM 23 C LIG 1 4.146 1.346 -1.634 0.00 0.00 +0.105 C BRANCH 23 24 ATOM 24 N LIG 1 4.966 1.529 -0.418 0.00 0.00 -0.294 NA ATOM 25 C LIG 1 5.572 2.890 -0.340 0.00 0.00 +0.079 C ATOM 26 C LIG 1 6.554 3.166 -1.486 0.00 0.00 +0.026 C ATOM 27 C LIG 1 6.331 3.082 0.997 0.00 0.00 +0.178 C ATOM 28 O LIG 1 5.474 2.884 2.126 0.00 0.00 -0.377 OA ATOM 29 C LIG 1 4.939 1.558 2.091 0.00 0.00 +0.175 C ATOM 30 C LIG 1 4.146 1.311 0.801 0.00 0.00 +0.113 C ENDBRANCH 23 24 ENDBRANCH 20 23 ENDBRANCH 14 21 ENDBRANCH 1 14 BRANCH 7 31 ATOM 31 C LIG 1 -4.103 0.258 3.088 0.00 0.00 +0.072 C BRANCH 31 32 ATOM 32 C LIG 1 -5.128 1.371 3.077 0.00 0.00 -0.043 A ATOM 33 C LIG 1 -4.935 2.520 2.291 0.00 0.00 +0.007 A ATOM 34 C LIG 1 -5.878 3.548 2.296 0.00 0.00 +0.038 A ATOM 35 C LIG 1 -7.011 3.436 3.092 0.00 0.00 +0.123 A ATOM 36 F LIG 1 -7.915 4.423 3.096 0.00 0.00 -0.205 F ATOM 37 C LIG 1 -7.216 2.316 3.888 0.00 0.00 +0.038 A ATOM 38 C LIG 1 -6.274 1.286 3.886 0.00 0.00 +0.007 A ENDBRANCH 31 32 ENDBRANCH 7 31 BRANCH 6 39 ATOM 39 C LIG 1 -6.057 -1.552 1.626 0.00 0.00 +0.211 C BRANCH 39 40 ATOM 40 O LIG 1 -6.678 -2.582 0.852 0.00 0.00 -0.389 OA ATOM 41 H LIG 1 -6.094 -2.685 0.071 0.00 0.00 +0.210 HD ENDBRANCH 39 40 ENDBRANCH 6 39 TORSDOF 8