REMARK Name = BDB020448 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.993 0.306 -1.435 0.00 0.00 +0.152 A ATOM 2 C LIG 1 0.640 0.248 -1.093 0.00 0.00 +0.035 A ATOM 3 C LIG 1 -0.689 0.121 -1.683 0.00 0.00 +0.150 C ATOM 4 N LIG 1 -1.556 0.134 -0.467 0.00 0.00 -0.270 N ATOM 5 C LIG 1 -0.790 0.327 0.833 0.00 0.00 +0.076 C ATOM 6 C LIG 1 -1.114 1.673 1.491 0.00 0.00 +0.038 C ATOM 7 C LIG 1 -0.960 -0.861 1.784 0.00 0.00 +0.038 C ATOM 8 C LIG 1 -2.899 -0.061 -0.694 0.00 0.00 +0.304 C ATOM 9 N LIG 1 -3.697 -0.114 0.408 0.00 0.00 -0.291 N ATOM 10 H LIG 1 -3.367 0.401 1.200 0.00 0.00 +0.151 HD ATOM 11 O LIG 1 -3.333 -0.223 -1.832 0.00 0.00 -0.253 OA ATOM 12 C LIG 1 0.581 0.353 0.264 0.00 0.00 +0.068 A ATOM 13 N LIG 1 1.851 0.475 0.702 0.00 0.00 -0.267 N ATOM 14 C LIG 1 2.354 0.636 2.041 0.00 0.00 +0.172 C ATOM 15 N LIG 1 2.735 0.437 -0.324 0.00 0.00 -0.156 NA ENDROOT BRANCH 1 17 ATOM 16 C LIG 1 3.771 0.317 -3.165 0.00 0.00 +0.253 C ATOM 17 N LIG 1 2.472 0.267 -2.724 0.00 0.00 -0.265 N ATOM 18 H LIG 1 1.792 0.287 -3.469 0.00 0.00 +0.157 HD ATOM 19 O LIG 1 4.010 0.487 -4.362 0.00 0.00 -0.270 OA BRANCH 16 23 ATOM 20 C LIG 1 7.135 -0.030 -0.551 0.00 0.00 +0.037 A ATOM 21 C LIG 1 6.340 -1.155 -0.824 0.00 0.00 +0.069 A ATOM 22 C LIG 1 5.217 -1.057 -1.656 0.00 0.00 +0.134 A ATOM 23 C LIG 1 4.905 0.176 -2.237 0.00 0.00 +0.079 A ATOM 24 C LIG 1 5.701 1.297 -1.989 0.00 0.00 +0.018 A ATOM 25 C LIG 1 6.804 1.195 -1.136 0.00 0.00 +0.024 A BRANCH 20 27 ATOM 26 C LIG 1 9.171 0.720 0.691 0.00 0.00 +0.241 C ATOM 27 N LIG 1 8.241 -0.218 0.306 0.00 0.00 -0.282 N ATOM 28 H LIG 1 8.388 -1.163 0.632 0.00 0.00 +0.155 HD ATOM 29 O LIG 1 9.251 1.889 0.334 0.00 0.00 -0.271 OA BRANCH 26 31 ATOM 30 C LIG 1 10.025 -0.736 2.554 0.00 0.00 +0.013 C ATOM 31 C LIG 1 10.221 0.192 1.608 0.00 0.00 +0.060 C ENDBRANCH 26 31 ENDBRANCH 20 27 BRANCH 22 32 ATOM 32 O LIG 1 4.454 -2.148 -1.984 0.00 0.00 -0.494 OA ATOM 33 C LIG 1 4.088 -2.950 -0.865 0.00 0.00 +0.277 C ENDBRANCH 22 32 ENDBRANCH 16 23 ENDBRANCH 1 17 BRANCH 9 34 ATOM 34 C LIG 1 -5.162 -0.207 0.373 0.00 0.00 +0.119 C BRANCH 34 35 ATOM 35 C LIG 1 -5.773 1.187 0.330 0.00 0.00 -0.026 A ATOM 36 C LIG 1 -6.445 1.695 1.454 0.00 0.00 +0.005 A ATOM 37 C LIG 1 -6.990 2.981 1.440 0.00 0.00 +0.000 A ATOM 38 C LIG 1 -6.869 3.778 0.304 0.00 0.00 +0.000 A ATOM 39 C LIG 1 -6.206 3.289 -0.819 0.00 0.00 +0.000 A ATOM 40 C LIG 1 -5.661 2.003 -0.806 0.00 0.00 +0.005 A ENDBRANCH 34 35 BRANCH 34 41 ATOM 41 C LIG 1 -5.749 -1.200 -0.679 0.00 0.00 +0.111 C BRANCH 41 42 ATOM 42 N LIG 1 -7.153 -1.617 -0.423 0.00 0.00 -0.306 NA ATOM 43 C LIG 1 -7.241 -2.578 0.678 0.00 0.00 +0.104 C ATOM 44 C LIG 1 -7.722 -2.209 -1.638 0.00 0.00 +0.104 C ENDBRANCH 41 42 ENDBRANCH 34 41 ENDBRANCH 9 34 TORSDOF 9