REMARK Name = BDB063428 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.786 0.088 0.766 0.00 0.00 +0.034 A ATOM 2 C LIG 1 -2.760 1.028 1.134 0.00 0.00 +0.036 A ATOM 3 C LIG 1 -4.136 0.848 0.856 0.00 0.00 +0.067 A ATOM 4 C LIG 1 -4.549 -0.316 0.182 0.00 0.00 +0.029 A ATOM 5 C LIG 1 -3.576 -1.258 -0.189 0.00 0.00 +0.014 A ATOM 6 C LIG 1 -2.221 -1.058 0.106 0.00 0.00 +0.024 A ENDROOT BRANCH 4 7 ATOM 7 C LIG 1 -5.953 -0.555 -0.159 0.00 0.00 +0.140 A ATOM 8 N LIG 1 -6.548 -1.796 -0.153 0.00 0.00 -0.338 N ATOM 9 H LIG 1 -6.094 -2.662 0.098 0.00 0.00 +0.167 HD ATOM 10 C LIG 1 -7.864 -1.660 -0.514 0.00 0.00 +0.067 A ATOM 11 C LIG 1 -8.027 -0.294 -0.726 0.00 0.00 +0.102 A ATOM 12 C LIG 1 -9.290 0.194 -1.111 0.00 0.00 +0.064 A ATOM 13 C LIG 1 -10.342 -0.729 -1.268 0.00 0.00 +0.015 A ATOM 14 C LIG 1 -10.143 -2.095 -1.047 0.00 0.00 +0.003 A ATOM 15 C LIG 1 -8.894 -2.591 -0.662 0.00 0.00 +0.028 A ATOM 16 N LIG 1 -6.833 0.364 -0.499 0.00 0.00 -0.227 NA BRANCH 12 17 ATOM 17 C LIG 1 -9.544 1.634 -1.351 0.00 0.00 +0.244 C ATOM 18 O LIG 1 -10.650 2.039 -1.693 0.00 0.00 -0.270 OA ATOM 19 N LIG 1 -8.503 2.498 -1.175 0.00 0.00 -0.325 N ATOM 20 H LIG 1 -7.586 2.176 -0.868 0.00 0.00 +0.145 HD ATOM 21 H LIG 1 -8.655 3.486 -1.308 0.00 0.00 +0.145 HD ENDBRANCH 12 17 ENDBRANCH 4 7 BRANCH 3 22 ATOM 22 C LIG 1 -5.114 1.910 1.308 0.00 0.00 +0.418 C ATOM 23 F LIG 1 -6.155 1.417 2.036 0.00 0.00 -0.166 F ATOM 24 F LIG 1 -5.647 2.638 0.288 0.00 0.00 -0.166 F ATOM 25 F LIG 1 -4.530 2.838 2.129 0.00 0.00 -0.166 F ENDBRANCH 3 22 BRANCH 1 26 ATOM 26 N LIG 1 -0.454 0.338 1.104 0.00 0.00 -0.284 N ATOM 27 H LIG 1 -0.237 1.239 1.504 0.00 0.00 +0.155 HD BRANCH 26 30 ATOM 28 C LIG 1 3.036 -0.322 1.248 0.00 0.00 +0.130 A ATOM 29 N LIG 1 1.834 0.281 1.365 0.00 0.00 -0.199 NA ATOM 30 C LIG 1 0.736 -0.371 0.949 0.00 0.00 +0.221 A ATOM 31 N LIG 1 0.762 -1.606 0.435 0.00 0.00 -0.223 NA ATOM 32 C LIG 1 1.961 -2.200 0.345 0.00 0.00 +0.118 A ATOM 33 C LIG 1 3.130 -1.605 0.742 0.00 0.00 +0.064 A BRANCH 28 34 ATOM 34 N LIG 1 4.217 0.335 1.697 0.00 0.00 -0.288 N ATOM 35 C LIG 1 3.963 1.689 2.208 0.00 0.00 +0.137 C BRANCH 34 43 ATOM 36 C LIG 1 10.591 -0.022 -0.466 0.00 0.00 +0.066 C ATOM 37 C LIG 1 9.143 0.058 -0.779 0.00 0.00 +0.044 A ATOM 38 N LIG 1 8.653 0.089 -2.063 0.00 0.00 -0.270 N ATOM 39 C LIG 1 9.425 0.051 -3.286 0.00 0.00 +0.172 C ATOM 40 N LIG 1 7.308 0.151 -2.148 0.00 0.00 -0.171 NA ATOM 41 C LIG 1 6.882 0.181 -0.876 0.00 0.00 +0.095 A ATOM 42 C LIG 1 5.573 0.255 -0.371 0.00 0.00 +0.053 A ATOM 43 C LIG 1 5.490 0.264 1.045 0.00 0.00 +0.037 A ATOM 44 C LIG 1 6.665 0.207 1.878 0.00 0.00 +0.024 A ATOM 45 C LIG 1 7.990 0.134 1.397 0.00 0.00 +0.013 A ATOM 46 C LIG 1 8.018 0.124 0.007 0.00 0.00 +0.023 A ENDBRANCH 34 43 ENDBRANCH 28 34 ENDBRANCH 26 30 ENDBRANCH 1 26 TORSDOF 7