REMARK Name = BDB011766 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -1.485 -1.119 -0.022 0.00 0.00 -0.264 N ATOM 2 C LIG 1 -0.740 -2.269 -0.517 0.00 0.00 +0.058 A ATOM 3 C LIG 1 0.673 -2.468 -0.500 0.00 0.00 +0.058 A ATOM 4 C LIG 1 1.170 -3.716 -0.967 0.00 0.00 +0.025 A ATOM 5 C LIG 1 0.364 -4.712 -1.510 0.00 0.00 +0.002 A ATOM 6 C LIG 1 -0.988 -4.497 -1.596 0.00 0.00 +0.002 A ATOM 7 N LIG 1 1.675 -1.563 0.030 0.00 0.00 -0.263 N ATOM 8 C LIG 1 2.983 -1.556 -0.517 0.00 0.00 +0.251 C ATOM 9 O LIG 1 3.287 -2.002 -1.623 0.00 0.00 -0.270 OA ATOM 10 C LIG 1 1.233 -0.382 0.752 0.00 0.00 +0.145 C ATOM 11 C LIG 1 0.416 0.507 -0.171 0.00 0.00 +0.177 C ATOM 12 C LIG 1 -1.519 -3.304 -1.106 0.00 0.00 +0.025 A ATOM 13 C LIG 1 -1.024 0.184 0.159 0.00 0.00 +0.242 C ATOM 14 O LIG 1 -1.758 1.088 0.590 0.00 0.00 -0.273 OA ENDROOT BRANCH 8 15 ATOM 15 C LIG 1 4.100 -1.012 0.302 0.00 0.00 +0.037 A ATOM 16 C LIG 1 4.238 -1.345 1.656 0.00 0.00 +0.014 A ATOM 17 C LIG 1 5.333 -0.864 2.388 0.00 0.00 +0.012 A ATOM 18 C LIG 1 6.302 -0.063 1.765 0.00 0.00 +0.017 A ATOM 19 C LIG 1 6.165 0.250 0.405 0.00 0.00 +0.012 A ATOM 20 C LIG 1 5.074 -0.230 -0.325 0.00 0.00 +0.014 A BRANCH 18 21 ATOM 21 C LIG 1 7.496 0.463 2.496 0.00 0.00 +0.160 C ATOM 22 O LIG 1 8.317 1.159 1.903 0.00 0.00 -0.292 OA ATOM 23 C LIG 1 7.674 0.118 3.951 0.00 0.00 +0.091 C ENDBRANCH 18 21 ENDBRANCH 8 15 BRANCH 11 24 ATOM 24 N LIG 1 0.620 1.937 0.068 0.00 0.00 -0.301 N ATOM 25 H LIG 1 -0.216 2.515 0.169 0.00 0.00 +0.150 HD ATOM 26 C LIG 1 1.782 2.602 -0.260 0.00 0.00 +0.231 C ATOM 27 O LIG 1 2.795 1.989 -0.601 0.00 0.00 -0.274 OA BRANCH 26 28 ATOM 28 C LIG 1 1.663 4.167 -0.160 0.00 0.00 +0.142 C ATOM 29 N LIG 1 0.273 4.676 -0.439 0.00 0.00 -0.306 NA ATOM 30 H LIG 1 0.147 5.025 -1.388 0.00 0.00 +0.123 HD ATOM 31 C LIG 1 0.498 5.725 0.581 0.00 0.00 +0.083 C ATOM 32 C LIG 1 1.524 4.796 1.246 0.00 0.00 +0.043 C ENDBRANCH 26 28 ENDBRANCH 11 24 BRANCH 1 33 ATOM 33 C LIG 1 -2.904 -1.295 0.336 0.00 0.00 +0.153 C BRANCH 33 35 ATOM 34 C LIG 1 -3.735 -0.385 -1.952 0.00 0.00 +0.125 A ATOM 35 C LIG 1 -3.997 -0.833 -0.636 0.00 0.00 +0.020 A ATOM 36 C LIG 1 -5.359 -0.860 -0.165 0.00 0.00 -0.010 A ATOM 37 C LIG 1 -6.401 -0.426 -1.025 0.00 0.00 -0.016 A ATOM 38 C LIG 1 -7.742 -0.446 -0.603 0.00 0.00 +0.023 A ATOM 39 C LIG 1 -8.079 -0.895 0.669 0.00 0.00 +0.018 A ATOM 40 C LIG 1 -7.089 -1.321 1.539 0.00 0.00 +0.016 A ATOM 41 BR LIG 1 -9.892 -0.936 1.208 0.00 0.00 -0.050 Br ATOM 42 C LIG 1 -6.098 0.020 -2.311 0.00 0.00 +0.012 A ATOM 43 C LIG 1 -5.750 -1.303 1.126 0.00 0.00 +0.010 A ATOM 44 C LIG 1 -4.785 0.036 -2.771 0.00 0.00 +0.046 A BRANCH 34 46 ATOM 45 C LIG 1 -2.086 0.434 -3.474 0.00 0.00 +0.277 C ATOM 46 O LIG 1 -2.445 -0.439 -2.407 0.00 0.00 -0.495 OA ENDBRANCH 34 46 ENDBRANCH 33 35 ENDBRANCH 1 33 TORSDOF 7