REMARK Name = BDB056356 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.111 2.050 -0.325 0.00 0.00 +0.177 C ATOM 2 C LIG 1 -1.145 0.945 -0.553 0.00 0.00 +0.242 C ATOM 3 O LIG 1 -2.332 1.162 -0.280 0.00 0.00 -0.273 OA ATOM 4 N LIG 1 -0.697 -0.256 -1.106 0.00 0.00 -0.264 N ATOM 5 C LIG 1 0.586 -0.328 -1.751 0.00 0.00 +0.058 A ATOM 6 C LIG 1 1.780 0.057 -1.098 0.00 0.00 +0.058 A ATOM 7 C LIG 1 2.999 0.001 -1.798 0.00 0.00 +0.025 A ATOM 8 C LIG 1 3.055 -0.467 -3.109 0.00 0.00 +0.002 A ATOM 9 C LIG 1 1.892 -0.887 -3.740 0.00 0.00 +0.002 A ATOM 10 N LIG 1 1.783 0.442 0.273 0.00 0.00 -0.263 N ATOM 11 C LIG 1 2.758 0.048 1.208 0.00 0.00 +0.251 C ATOM 12 O LIG 1 2.936 0.642 2.272 0.00 0.00 -0.270 OA ATOM 13 C LIG 1 0.670 -0.819 -3.067 0.00 0.00 +0.025 A ATOM 14 C LIG 1 0.921 1.552 0.683 0.00 0.00 +0.145 C ENDROOT BRANCH 11 15 ATOM 15 C LIG 1 3.570 -1.181 0.984 0.00 0.00 +0.037 A ATOM 16 C LIG 1 4.925 -1.153 1.333 0.00 0.00 +0.014 A ATOM 17 C LIG 1 5.718 -2.290 1.156 0.00 0.00 +0.012 A ATOM 18 C LIG 1 5.162 -3.472 0.646 0.00 0.00 +0.017 A ATOM 19 C LIG 1 3.800 -3.506 0.322 0.00 0.00 +0.012 A ATOM 20 C LIG 1 3.006 -2.367 0.498 0.00 0.00 +0.014 A BRANCH 18 21 ATOM 21 C LIG 1 6.052 -4.659 0.473 0.00 0.00 +0.160 C ATOM 22 O LIG 1 7.255 -4.561 0.706 0.00 0.00 -0.292 OA ATOM 23 C LIG 1 5.453 -5.960 0.006 0.00 0.00 +0.091 C ENDBRANCH 18 21 ENDBRANCH 11 15 BRANCH 1 25 ATOM 24 C LIG 1 -0.292 4.489 0.113 0.00 0.00 +0.230 C ATOM 25 N LIG 1 -0.832 3.228 0.171 0.00 0.00 -0.301 N ATOM 26 H LIG 1 -1.817 3.088 0.379 0.00 0.00 +0.150 HD ATOM 27 O LIG 1 0.871 4.678 -0.248 0.00 0.00 -0.274 OA BRANCH 24 28 ATOM 28 C LIG 1 -1.207 5.635 0.620 0.00 0.00 +0.137 C ATOM 29 C LIG 1 -2.565 5.633 -0.077 0.00 0.00 +0.034 C BRANCH 28 31 ATOM 30 C LIG 1 -0.754 7.888 1.419 0.00 0.00 +0.101 C ATOM 31 N LIG 1 -0.538 6.928 0.347 0.00 0.00 -0.309 NA ATOM 32 H LIG 1 0.468 6.743 0.258 0.00 0.00 +0.122 HD ENDBRANCH 28 31 ENDBRANCH 24 28 ENDBRANCH 1 25 BRANCH 4 33 ATOM 33 C LIG 1 -1.698 -1.280 -1.445 0.00 0.00 +0.153 C BRANCH 33 34 ATOM 34 C LIG 1 -2.663 -1.701 -0.339 0.00 0.00 +0.020 A ATOM 35 C LIG 1 -4.088 -1.663 -0.535 0.00 0.00 -0.010 A ATOM 36 C LIG 1 -4.932 -2.149 0.499 0.00 0.00 -0.016 A ATOM 37 C LIG 1 -6.330 -2.140 0.355 0.00 0.00 +0.023 A ATOM 38 C LIG 1 -6.921 -1.648 -0.802 0.00 0.00 +0.018 A ATOM 39 C LIG 1 -6.132 -1.158 -1.829 0.00 0.00 +0.016 A ATOM 40 BR LIG 1 -8.803 -1.643 -0.974 0.00 0.00 -0.050 Br ATOM 41 C LIG 1 -4.379 -2.652 1.678 0.00 0.00 +0.012 A ATOM 42 C LIG 1 -3.002 -2.677 1.868 0.00 0.00 +0.046 A ATOM 43 C LIG 1 -4.739 -1.165 -1.694 0.00 0.00 +0.010 A ATOM 44 C LIG 1 -2.143 -2.192 0.881 0.00 0.00 +0.125 A BRANCH 44 45 ATOM 45 O LIG 1 -0.777 -2.218 1.031 0.00 0.00 -0.495 OA ATOM 46 C LIG 1 -0.325 -1.999 2.368 0.00 0.00 +0.277 C ENDBRANCH 44 45 ENDBRANCH 33 34 ENDBRANCH 4 33 TORSDOF 8