REMARK Name = BDB036348 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.853 0.448 1.872 0.00 0.00 -0.030 A ATOM 2 C LIG 1 -0.779 1.702 2.467 0.00 0.00 -0.040 A ATOM 3 C LIG 1 -1.897 2.638 2.820 0.00 0.00 +0.036 C ATOM 4 C LIG 1 -1.138 3.954 3.036 0.00 0.00 +0.009 C ATOM 5 C LIG 1 0.266 3.575 3.520 0.00 0.00 +0.036 C ATOM 6 C LIG 1 0.451 2.241 2.865 0.00 0.00 -0.044 A ATOM 7 C LIG 1 1.643 1.557 2.673 0.00 0.00 +0.008 A ATOM 8 C LIG 1 1.611 0.292 2.071 0.00 0.00 -0.039 A ATOM 9 C LIG 1 0.354 -0.251 1.701 0.00 0.00 +0.009 A ENDROOT BRANCH 1 10 ATOM 10 C LIG 1 -2.157 -0.160 1.405 0.00 0.00 +0.120 C BRANCH 10 20 ATOM 11 C LIG 1 -1.911 -0.456 -1.943 0.00 0.00 +0.187 C ATOM 12 O LIG 1 -3.147 -1.149 -2.213 0.00 0.00 -0.486 OA ATOM 13 C LIG 1 -4.187 -0.287 -2.400 0.00 0.00 +0.144 A ATOM 14 C LIG 1 -4.762 0.383 -1.317 0.00 0.00 +0.100 A ATOM 15 N LIG 1 -5.791 1.256 -1.484 0.00 0.00 -0.255 NA ATOM 16 C LIG 1 -6.262 1.430 -2.739 0.00 0.00 +0.111 A ATOM 17 C LIG 1 -5.762 0.772 -3.853 0.00 0.00 +0.023 A ATOM 18 C LIG 1 -4.203 0.102 0.086 0.00 0.00 +0.106 C ATOM 19 C LIG 1 -5.136 0.695 1.159 0.00 0.00 +0.031 C ATOM 20 N LIG 1 -2.812 0.585 0.317 0.00 0.00 -0.286 NA ATOM 21 C LIG 1 -4.704 -0.111 -3.676 0.00 0.00 +0.049 A ATOM 22 C LIG 1 -2.000 0.712 -0.909 0.00 0.00 +0.130 C BRANCH 11 24 ATOM 23 C LIG 1 -0.573 -2.486 -2.681 0.00 0.00 +0.007 C ATOM 24 C LIG 1 -0.876 -1.517 -1.543 0.00 0.00 +0.042 C ENDBRANCH 11 24 ENDBRANCH 10 20 ENDBRANCH 1 10 BRANCH 8 25 ATOM 25 C LIG 1 2.865 -0.530 1.747 0.00 0.00 +0.060 C BRANCH 25 26 ATOM 26 C LIG 1 3.040 -0.701 0.227 0.00 0.00 -0.033 A ATOM 27 C LIG 1 3.180 -1.974 -0.373 0.00 0.00 -0.023 A ATOM 28 C LIG 1 3.175 -3.242 0.432 0.00 0.00 +0.046 C ATOM 29 C LIG 1 3.278 -2.014 -1.765 0.00 0.00 +0.070 A ATOM 30 N LIG 1 3.387 -3.168 -2.586 0.00 0.00 -0.262 N ATOM 31 H LIG 1 4.160 -3.751 -2.266 0.00 0.00 +0.168 HD ATOM 32 N LIG 1 3.549 -2.705 -3.931 0.00 0.00 -0.161 NA ATOM 33 H LIG 1 2.819 -3.134 -4.513 0.00 0.00 +0.168 HD ATOM 34 N LIG 1 3.336 -1.282 -3.926 0.00 0.00 -0.251 N ATOM 35 C LIG 1 4.143 -0.481 -4.839 0.00 0.00 +0.151 C ATOM 36 C LIG 1 3.246 -0.869 -2.582 0.00 0.00 +0.086 A ATOM 37 C LIG 1 3.124 0.377 -1.994 0.00 0.00 +0.065 A ATOM 38 CL LIG 1 3.016 1.848 -2.882 0.00 0.00 -0.082 Cl ATOM 39 C LIG 1 3.035 0.455 -0.597 0.00 0.00 +0.026 A ENDBRANCH 25 26 BRANCH 25 40 ATOM 40 C LIG 1 4.192 -0.038 2.345 0.00 0.00 +0.133 C BRANCH 40 41 ATOM 41 C LIG 1 4.218 -0.239 3.833 0.00 0.00 +0.306 C ATOM 42 O LIG 1 3.947 -1.266 4.431 0.00 0.00 -0.251 OA BRANCH 41 43 ATOM 43 O LIG 1 4.623 0.858 4.500 0.00 0.00 -0.481 OA ATOM 44 H LIG 1 4.600 0.587 5.442 0.00 0.00 +0.295 HD ENDBRANCH 41 43 ENDBRANCH 40 41 ENDBRANCH 25 40 ENDBRANCH 8 25 TORSDOF 8