REMARK Name = BDB011883 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.865 -0.488 1.355 0.00 0.00 +0.237 C ATOM 2 N LIG 1 0.428 -0.587 1.812 0.00 0.00 -0.280 N ATOM 3 C LIG 1 1.561 0.336 1.548 0.00 0.00 +0.193 C ATOM 4 C LIG 1 2.534 -0.017 2.645 0.00 0.00 -0.014 A ATOM 5 C LIG 1 2.060 -1.105 3.387 0.00 0.00 -0.025 A ATOM 6 C LIG 1 2.791 -1.623 4.443 0.00 0.00 +0.005 A ATOM 7 C LIG 1 4.016 -1.032 4.753 0.00 0.00 +0.000 A ATOM 8 C LIG 1 4.494 0.059 4.010 0.00 0.00 +0.000 A ATOM 9 C LIG 1 3.751 0.575 2.946 0.00 0.00 +0.006 A ATOM 10 C LIG 1 0.735 -1.552 2.870 0.00 0.00 +0.144 C ATOM 11 O LIG 1 -1.709 -1.337 1.666 0.00 0.00 -0.274 OA ENDROOT BRANCH 3 12 ATOM 12 C LIG 1 2.222 0.154 0.156 0.00 0.00 +0.242 C ATOM 13 N LIG 1 1.893 -1.042 -0.453 0.00 0.00 -0.279 N ATOM 14 H LIG 1 1.279 -1.653 0.081 0.00 0.00 +0.155 HD ATOM 15 O LIG 1 3.016 0.993 -0.259 0.00 0.00 -0.273 OA BRANCH 13 16 ATOM 16 C LIG 1 2.302 -1.558 -1.704 0.00 0.00 +0.105 A ATOM 17 C LIG 1 1.825 -2.841 -2.015 0.00 0.00 +0.147 A ATOM 18 F LIG 1 1.031 -3.475 -1.135 0.00 0.00 -0.203 F ATOM 19 C LIG 1 2.137 -3.485 -3.212 0.00 0.00 +0.040 A ATOM 20 C LIG 1 2.946 -2.842 -4.142 0.00 0.00 +0.006 A ATOM 21 C LIG 1 3.430 -1.565 -3.860 0.00 0.00 +0.040 A ATOM 22 C LIG 1 3.110 -0.930 -2.655 0.00 0.00 +0.147 A ATOM 23 F LIG 1 3.613 0.295 -2.477 0.00 0.00 -0.203 F ENDBRANCH 13 16 ENDBRANCH 3 12 BRANCH 1 24 ATOM 24 C LIG 1 -1.256 0.672 0.415 0.00 0.00 +0.162 C BRANCH 24 25 ATOM 25 C LIG 1 -2.259 1.625 1.109 0.00 0.00 +0.018 C ATOM 26 C LIG 1 -1.698 2.209 2.423 0.00 0.00 +0.006 C ATOM 27 C LIG 1 -2.408 3.482 2.894 0.00 0.00 +0.000 C ATOM 28 C LIG 1 -3.815 3.603 2.331 0.00 0.00 +0.000 C ATOM 29 C LIG 1 -3.811 3.619 0.803 0.00 0.00 +0.000 C ATOM 30 C LIG 1 -2.698 2.769 0.181 0.00 0.00 +0.006 C ENDBRANCH 24 25 BRANCH 24 32 ATOM 31 C LIG 1 -1.474 0.140 -2.015 0.00 0.00 +0.230 C ATOM 32 N LIG 1 -1.901 -0.001 -0.715 0.00 0.00 -0.302 N ATOM 33 H LIG 1 -2.592 -0.706 -0.480 0.00 0.00 +0.150 HD ATOM 34 O LIG 1 -0.577 0.921 -2.321 0.00 0.00 -0.274 OA BRANCH 31 35 ATOM 35 C LIG 1 -2.269 -0.697 -3.052 0.00 0.00 +0.137 C ATOM 36 C LIG 1 -2.254 -2.191 -2.731 0.00 0.00 +0.034 C BRANCH 35 38 ATOM 37 C LIG 1 -0.562 -0.982 -4.819 0.00 0.00 +0.101 C ATOM 38 N LIG 1 -1.837 -0.385 -4.435 0.00 0.00 -0.309 NA ATOM 39 H LIG 1 -1.723 0.632 -4.486 0.00 0.00 +0.122 HD ENDBRANCH 35 38 ENDBRANCH 31 35 ENDBRANCH 24 32 ENDBRANCH 1 24 TORSDOF 7