REMARK Name = BDB011926 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.004 1.284 -0.595 0.00 0.00 +0.237 C ATOM 2 N LIG 1 -0.309 1.737 -0.709 0.00 0.00 -0.284 N ATOM 3 C LIG 1 -1.310 1.697 0.396 0.00 0.00 +0.193 C ATOM 4 C LIG 1 -2.367 2.788 0.287 0.00 0.00 -0.012 A ATOM 5 C LIG 1 -2.791 3.238 -0.977 0.00 0.00 -0.040 A ATOM 6 C LIG 1 -3.811 4.192 -1.084 0.00 0.00 +0.007 A ATOM 7 C LIG 1 -4.397 4.716 0.068 0.00 0.00 +0.038 A ATOM 8 C LIG 1 -3.972 4.276 1.316 0.00 0.00 +0.124 A ATOM 9 F LIG 1 -4.540 4.779 2.420 0.00 0.00 -0.205 F ATOM 10 C LIG 1 -2.135 2.650 -2.193 0.00 0.00 +0.054 C ATOM 11 C LIG 1 -2.971 3.317 1.437 0.00 0.00 +0.044 A ATOM 12 C LIG 1 -0.640 2.488 -1.930 0.00 0.00 +0.113 C ATOM 13 O LIG 1 1.787 1.381 -1.549 0.00 0.00 -0.274 OA ENDROOT BRANCH 3 14 ATOM 14 C LIG 1 -1.994 0.296 0.528 0.00 0.00 +0.242 C ATOM 15 N LIG 1 -1.680 -0.566 -0.506 0.00 0.00 -0.279 N ATOM 16 H LIG 1 -1.090 -0.174 -1.237 0.00 0.00 +0.155 HD ATOM 17 O LIG 1 -2.739 0.056 1.474 0.00 0.00 -0.273 OA BRANCH 15 18 ATOM 18 C LIG 1 -2.024 -1.924 -0.692 0.00 0.00 +0.105 A ATOM 19 C LIG 1 -2.788 -2.728 0.158 0.00 0.00 +0.147 A ATOM 20 F LIG 1 -3.317 -2.273 1.299 0.00 0.00 -0.203 F ATOM 21 C LIG 1 -3.033 -4.072 -0.149 0.00 0.00 +0.040 A ATOM 22 C LIG 1 -2.519 -4.640 -1.314 0.00 0.00 +0.006 A ATOM 23 C LIG 1 -1.757 -3.858 -2.176 0.00 0.00 +0.040 A ATOM 24 C LIG 1 -1.519 -2.521 -1.858 0.00 0.00 +0.147 A ATOM 25 F LIG 1 -0.769 -1.786 -2.697 0.00 0.00 -0.203 F ENDBRANCH 15 18 ENDBRANCH 3 14 BRANCH 1 26 ATOM 26 C LIG 1 1.476 0.571 0.696 0.00 0.00 +0.162 C BRANCH 26 28 ATOM 27 C LIG 1 2.196 -1.791 1.012 0.00 0.00 +0.230 C ATOM 28 N LIG 1 2.112 -0.663 0.230 0.00 0.00 -0.302 N ATOM 29 H LIG 1 2.621 -0.612 -0.648 0.00 0.00 +0.150 HD ATOM 30 O LIG 1 1.698 -1.857 2.134 0.00 0.00 -0.274 OA BRANCH 27 31 ATOM 31 C LIG 1 2.941 -2.969 0.347 0.00 0.00 +0.137 C ATOM 32 C LIG 1 2.007 -3.648 -0.651 0.00 0.00 +0.034 C BRANCH 31 34 ATOM 33 C LIG 1 4.528 -3.502 2.109 0.00 0.00 +0.101 C ATOM 34 N LIG 1 3.365 -3.962 1.357 0.00 0.00 -0.309 NA ATOM 35 H LIG 1 2.587 -4.072 2.018 0.00 0.00 +0.122 HD ENDBRANCH 31 34 ENDBRANCH 27 31 ENDBRANCH 26 28 BRANCH 26 36 ATOM 36 C LIG 1 2.450 1.413 1.556 0.00 0.00 +0.012 C ATOM 37 C LIG 1 1.758 2.620 2.192 0.00 0.00 +0.009 C ATOM 38 C LIG 1 3.705 1.875 0.806 0.00 0.00 +0.009 C ENDBRANCH 26 36 ENDBRANCH 1 26 TORSDOF 7