REMARK Name = BDB064902 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.377 -1.833 1.181 0.00 0.00 +0.045 A ATOM 2 C LIG 1 -2.469 -1.532 0.335 0.00 0.00 +0.140 A ATOM 3 O LIG 1 -2.884 -0.228 0.346 0.00 0.00 -0.454 OA ATOM 4 C LIG 1 -3.814 0.213 -0.561 0.00 0.00 +0.143 A ATOM 5 C LIG 1 -4.051 1.610 -0.575 0.00 0.00 +0.059 A ATOM 6 C LIG 1 -5.035 2.142 -1.430 0.00 0.00 +0.131 A ATOM 7 C LIG 1 -5.749 1.280 -2.261 0.00 0.00 +0.047 A ATOM 8 C LIG 1 -5.490 -0.096 -2.248 0.00 0.00 +0.012 A ATOM 9 C LIG 1 -4.514 -0.653 -1.402 0.00 0.00 +0.006 A ATOM 10 C LIG 1 -4.226 -2.156 -1.388 0.00 0.00 +0.022 C ATOM 11 C LIG 1 -3.862 -2.604 -2.825 0.00 0.00 +0.021 C ATOM 12 C LIG 1 -5.494 -2.903 -0.916 0.00 0.00 +0.021 C ATOM 13 C LIG 1 -3.070 -2.513 -0.454 0.00 0.00 +0.005 A ATOM 14 C LIG 1 -2.571 -3.824 -0.360 0.00 0.00 +0.012 A ATOM 15 C LIG 1 -1.479 -4.134 0.458 0.00 0.00 +0.046 A ATOM 16 C LIG 1 -0.863 -3.141 1.214 0.00 0.00 +0.127 A ENDROOT BRANCH 5 17 ATOM 17 C LIG 1 -3.306 2.522 0.320 0.00 0.00 +0.022 C ATOM 18 C LIG 1 -1.966 2.593 0.322 0.00 0.00 +0.092 C BRANCH 18 19 ATOM 19 C LIG 1 -1.222 3.438 1.265 0.00 0.00 +0.330 C ATOM 20 O LIG 1 -0.201 3.061 1.818 0.00 0.00 -0.246 OA BRANCH 19 21 ATOM 21 O LIG 1 -1.756 4.663 1.431 0.00 0.00 -0.478 OA ATOM 22 H LIG 1 -2.494 4.850 0.822 0.00 0.00 +0.295 HD ENDBRANCH 19 21 ENDBRANCH 18 19 ENDBRANCH 5 17 BRANCH 6 23 ATOM 23 O LIG 1 -5.223 3.501 -1.372 0.00 0.00 -0.494 OA ATOM 24 C LIG 1 -6.117 4.076 -2.317 0.00 0.00 +0.277 C ENDBRANCH 6 23 BRANCH 16 25 ATOM 25 O LIG 1 0.228 -3.336 2.020 0.00 0.00 -0.495 OA ATOM 26 C LIG 1 0.937 -4.561 1.870 0.00 0.00 +0.277 C ENDBRANCH 16 25 BRANCH 1 27 ATOM 27 C LIG 1 -0.702 -0.735 1.985 0.00 0.00 +0.138 C BRANCH 27 30 ATOM 28 C LIG 1 2.574 1.105 1.321 0.00 0.00 +0.201 C ATOM 29 N LIG 1 1.565 0.306 1.992 0.00 0.00 -0.267 N ATOM 30 C LIG 1 0.486 -0.133 1.244 0.00 0.00 +0.222 C ATOM 31 O LIG 1 0.478 -0.018 0.014 0.00 0.00 -0.275 OA ATOM 32 C LIG 1 1.557 0.546 3.436 0.00 0.00 +0.161 C ATOM 33 C LIG 1 1.977 -0.673 4.248 0.00 0.00 +0.038 C ATOM 34 C LIG 1 2.627 1.622 3.584 0.00 0.00 +0.237 C ATOM 35 O LIG 1 2.889 2.214 4.622 0.00 0.00 -0.274 OA ATOM 36 N LIG 1 3.296 1.756 2.379 0.00 0.00 -0.280 N ATOM 37 C LIG 1 4.153 2.889 2.114 0.00 0.00 +0.134 C BRANCH 28 39 ATOM 38 C LIG 1 3.924 0.768 -0.815 0.00 0.00 +0.169 A ATOM 39 C LIG 1 3.487 0.280 0.431 0.00 0.00 +0.038 A ATOM 40 C LIG 1 3.932 -0.992 0.835 0.00 0.00 +0.043 A ATOM 41 C LIG 1 4.779 -1.742 0.009 0.00 0.00 +0.130 A ATOM 42 C LIG 1 5.231 -1.232 -1.215 0.00 0.00 +0.082 A ATOM 43 C LIG 1 4.821 0.038 -1.622 0.00 0.00 +0.164 A BRANCH 41 44 ATOM 44 N LIG 1 5.191 -3.088 0.428 0.00 0.00 +0.057 N ATOM 45 O LIG 1 6.063 -3.657 -0.246 0.00 0.00 -0.126 OA ATOM 46 O LIG 1 4.644 -3.578 1.426 0.00 0.00 -0.126 OA ENDBRANCH 41 44 BRANCH 43 47 ATOM 47 O LIG 1 5.206 0.630 -2.797 0.00 0.00 -0.491 OA ATOM 48 C LIG 1 6.404 0.148 -3.397 0.00 0.00 +0.277 C ENDBRANCH 43 47 BRANCH 38 49 ATOM 49 O LIG 1 3.536 2.029 -1.203 0.00 0.00 -0.488 OA BRANCH 49 51 ATOM 50 C LIG 1 2.478 3.258 -2.960 0.00 0.00 +0.048 C ATOM 51 C LIG 1 2.473 1.962 -2.167 0.00 0.00 +0.226 C ENDBRANCH 49 51 ENDBRANCH 38 49 ENDBRANCH 28 39 ENDBRANCH 27 30 ENDBRANCH 1 27 TORSDOF 12