REMARK Name = BDB035448 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 3.328 -0.631 2.298 0.00 0.00 -0.032 A ATOM 2 C LIG 1 2.028 -0.412 1.785 0.00 0.00 +0.028 A ATOM 3 C LIG 1 0.923 -1.221 2.097 0.00 0.00 +0.037 A ATOM 4 C LIG 1 1.136 -2.310 2.949 0.00 0.00 +0.023 A ATOM 5 C LIG 1 2.399 -2.560 3.487 0.00 0.00 +0.002 A ATOM 6 C LIG 1 3.470 -1.728 3.169 0.00 0.00 +0.005 A ENDROOT BRANCH 1 13 ATOM 7 C LIG 1 7.154 -0.701 -3.809 0.00 0.00 +0.109 C ATOM 8 C LIG 1 5.939 -1.228 -3.094 0.00 0.00 +0.212 C ATOM 9 N LIG 1 5.627 -0.581 -1.930 0.00 0.00 -0.301 N ATOM 10 C LIG 1 6.442 0.258 -1.055 0.00 0.00 +0.116 C ATOM 11 C LIG 1 5.418 -0.030 0.002 0.00 0.00 +0.005 C ATOM 12 C LIG 1 4.596 1.103 0.566 0.00 0.00 +0.029 C ATOM 13 C LIG 1 4.584 0.314 1.937 0.00 0.00 +0.057 C ATOM 14 C LIG 1 5.866 -0.440 1.380 0.00 0.00 +0.029 C ATOM 15 C LIG 1 4.732 -1.048 -0.871 0.00 0.00 +0.116 C ATOM 16 O LIG 1 5.289 -2.175 -3.530 0.00 0.00 -0.276 OA BRANCH 13 17 ATOM 17 C LIG 1 4.919 1.255 3.162 0.00 0.00 +0.144 A ATOM 18 N LIG 1 4.133 2.234 3.704 0.00 0.00 -0.320 N ATOM 19 C LIG 1 2.824 2.655 3.288 0.00 0.00 +0.151 C ATOM 20 C LIG 1 4.848 2.757 4.738 0.00 0.00 +0.224 A ATOM 21 N LIG 1 6.006 2.147 4.826 0.00 0.00 -0.138 NA ATOM 22 N LIG 1 6.047 1.194 3.839 0.00 0.00 -0.134 NA ENDBRANCH 13 17 ENDBRANCH 1 13 BRANCH 3 23 ATOM 23 N LIG 1 -0.368 -0.951 1.568 0.00 0.00 -0.263 N ATOM 24 C LIG 1 -0.743 0.164 0.810 0.00 0.00 +0.251 C ATOM 25 O LIG 1 -0.113 1.150 0.472 0.00 0.00 -0.270 OA ATOM 26 C LIG 1 -2.157 -0.015 0.456 0.00 0.00 +0.043 A ATOM 27 C LIG 1 -2.966 0.808 -0.307 0.00 0.00 +0.018 A ATOM 28 C LIG 1 -4.294 0.413 -0.513 0.00 0.00 -0.032 A ATOM 29 C LIG 1 -4.760 -0.794 0.066 0.00 0.00 +0.017 A ATOM 30 C LIG 1 -3.924 -1.619 0.841 0.00 0.00 +0.061 A ATOM 31 C LIG 1 -2.608 -1.202 1.020 0.00 0.00 -0.006 A ATOM 32 C LIG 1 -1.494 -1.854 1.774 0.00 0.00 +0.150 C BRANCH 30 33 ATOM 33 C LIG 1 -4.418 -2.908 1.439 0.00 0.00 +0.418 C ATOM 34 F LIG 1 -5.757 -3.103 1.305 0.00 0.00 -0.166 F ATOM 35 F LIG 1 -3.816 -3.996 0.883 0.00 0.00 -0.166 F ATOM 36 F LIG 1 -4.158 -2.987 2.775 0.00 0.00 -0.166 F ENDBRANCH 30 33 BRANCH 28 37 ATOM 37 C LIG 1 -5.233 1.266 -1.340 0.00 0.00 +0.116 C BRANCH 37 38 ATOM 38 N LIG 1 -5.735 0.503 -2.484 0.00 0.00 -0.307 NA ATOM 39 H LIG 1 -4.947 0.280 -3.092 0.00 0.00 +0.123 HD BRANCH 38 40 ATOM 40 C LIG 1 -6.845 1.178 -3.183 0.00 0.00 +0.017 C ATOM 41 C LIG 1 -8.168 0.985 -2.390 0.00 0.00 +0.022 C ATOM 42 C LIG 1 -8.377 -0.354 -3.128 0.00 0.00 +0.004 C ATOM 43 C LIG 1 -7.408 0.153 -4.214 0.00 0.00 +0.022 C ATOM 44 C LIG 1 -6.517 2.546 -3.742 0.00 0.00 +0.027 C ENDBRANCH 38 40 ENDBRANCH 37 38 ENDBRANCH 28 37 ENDBRANCH 3 23 TORSDOF 7