REMARK Name = BDB058047 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.142 -1.163 -0.428 0.00 0.00 +0.037 A ATOM 2 C LIG 1 -1.054 -1.057 0.628 0.00 0.00 +0.021 A ATOM 3 C LIG 1 -2.225 -0.300 0.482 0.00 0.00 -0.021 A ATOM 4 C LIG 1 -2.451 0.354 -0.738 0.00 0.00 +0.008 A ATOM 5 C LIG 1 -1.553 0.225 -1.802 0.00 0.00 +0.001 A ATOM 6 C LIG 1 -0.400 -0.543 -1.653 0.00 0.00 +0.013 A ENDROOT BRANCH 3 7 ATOM 7 C LIG 1 -3.133 -0.186 1.633 0.00 0.00 +0.058 C ATOM 8 C LIG 1 -4.466 -0.065 1.582 0.00 0.00 +0.176 C ATOM 9 C LIG 1 -5.318 0.023 2.797 0.00 0.00 +0.231 C ATOM 10 O LIG 1 -4.996 0.012 3.965 0.00 0.00 -0.283 OA ATOM 11 C LIG 1 -6.663 0.126 2.246 0.00 0.00 +0.068 A ATOM 12 C LIG 1 -6.550 0.106 0.858 0.00 0.00 +0.152 A ATOM 13 C LIG 1 -7.676 0.190 0.060 0.00 0.00 +0.079 A ATOM 14 C LIG 1 -8.925 0.301 0.699 0.00 0.00 +0.017 A ATOM 15 C LIG 1 -9.022 0.316 2.107 0.00 0.00 +0.002 A ATOM 16 C LIG 1 -7.877 0.227 2.900 0.00 0.00 +0.015 A ATOM 17 O LIG 1 -5.246 -0.022 0.436 0.00 0.00 -0.451 OA BRANCH 13 18 ATOM 18 C LIG 1 -7.554 0.205 -1.415 0.00 0.00 +0.245 C ATOM 19 O LIG 1 -6.582 0.682 -1.983 0.00 0.00 -0.270 OA ATOM 20 N LIG 1 -8.581 -0.355 -2.124 0.00 0.00 -0.325 N ATOM 21 H LIG 1 -8.427 -0.450 -3.121 0.00 0.00 +0.145 HD ATOM 22 H LIG 1 -9.253 -0.979 -1.699 0.00 0.00 +0.145 HD ENDBRANCH 13 18 ENDBRANCH 3 7 BRANCH 1 27 ATOM 23 N LIG 1 4.996 -0.372 -0.887 0.00 0.00 -0.297 N ATOM 24 C LIG 1 3.984 0.418 -0.193 0.00 0.00 +0.127 C ATOM 25 C LIG 1 2.570 0.007 -0.645 0.00 0.00 +0.127 C ATOM 26 N LIG 1 2.314 -1.435 -0.507 0.00 0.00 -0.295 N ATOM 27 C LIG 1 1.069 -1.993 -0.239 0.00 0.00 +0.247 C ATOM 28 O LIG 1 0.918 -3.147 0.155 0.00 0.00 -0.270 OA ATOM 29 C LIG 1 3.495 -2.295 -0.390 0.00 0.00 +0.127 C ATOM 30 C LIG 1 4.708 -1.778 -1.184 0.00 0.00 +0.127 C BRANCH 23 33 ATOM 31 C LIG 1 7.887 1.575 -0.176 0.00 0.00 +0.219 A ATOM 32 N LIG 1 6.596 1.200 -0.218 0.00 0.00 -0.179 NA ATOM 33 C LIG 1 6.312 0.031 -0.812 0.00 0.00 +0.221 A ATOM 34 N LIG 1 7.260 -0.751 -1.357 0.00 0.00 -0.223 NA ATOM 35 C LIG 1 8.537 -0.334 -1.292 0.00 0.00 +0.119 A ATOM 36 C LIG 1 8.916 0.840 -0.703 0.00 0.00 +0.087 A BRANCH 31 38 ATOM 37 C LIG 1 7.124 3.483 0.947 0.00 0.00 +0.279 C ATOM 38 O LIG 1 8.240 2.768 0.426 0.00 0.00 -0.480 OA ENDBRANCH 31 38 ENDBRANCH 23 33 ENDBRANCH 1 27 TORSDOF 5