REMARK Name = BDB005891 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 3.931 -0.586 0.612 0.00 0.00 +0.128 A ATOM 2 N LIG 1 3.247 -1.697 0.985 0.00 0.00 -0.240 NA ATOM 3 C LIG 1 1.895 -1.667 1.099 0.00 0.00 +0.099 A ATOM 4 C LIG 1 1.234 -0.473 0.790 0.00 0.00 +0.096 A ATOM 5 C LIG 1 1.950 0.665 0.429 0.00 0.00 +0.095 A ATOM 6 N LIG 1 1.119 1.725 0.207 0.00 0.00 -0.214 NA ATOM 7 C LIG 1 -0.095 1.303 0.458 0.00 0.00 +0.200 A ATOM 8 N LIG 1 -0.086 -0.068 0.676 0.00 0.00 -0.310 N ATOM 9 C LIG 1 3.339 0.631 0.327 0.00 0.00 +0.063 A ENDROOT BRANCH 3 10 ATOM 10 C LIG 1 1.271 -2.894 1.560 0.00 0.00 +0.022 A ATOM 11 C LIG 1 1.308 -4.066 0.792 0.00 0.00 +0.033 A ATOM 12 C LIG 1 0.677 -5.216 1.254 0.00 0.00 +0.060 A ATOM 13 CL LIG 1 0.681 -6.652 0.315 0.00 0.00 -0.082 Cl ATOM 14 C LIG 1 0.032 -5.170 2.480 0.00 0.00 +0.130 A ATOM 15 N LIG 1 -0.016 -4.066 3.264 0.00 0.00 -0.261 NA ATOM 16 C LIG 1 0.621 -2.966 2.793 0.00 0.00 +0.120 A ENDBRANCH 3 10 BRANCH 7 17 ATOM 17 N LIG 1 -1.251 2.011 0.403 0.00 0.00 -0.289 N ATOM 18 C LIG 1 -1.369 3.144 -0.554 0.00 0.00 +0.132 C ATOM 19 C LIG 1 -2.888 3.394 -0.808 0.00 0.00 +0.187 C ATOM 20 O LIG 1 -3.661 3.562 0.400 0.00 0.00 -0.376 OA ATOM 21 C LIG 1 -3.485 2.451 1.291 0.00 0.00 +0.179 C ATOM 22 C LIG 1 -2.007 2.226 1.647 0.00 0.00 +0.136 C BRANCH 18 23 ATOM 23 C LIG 1 -0.603 4.409 -0.156 0.00 0.00 -0.025 A ATOM 24 C LIG 1 0.694 4.612 -0.663 0.00 0.00 +0.005 A ATOM 25 C LIG 1 1.428 5.759 -0.351 0.00 0.00 +0.000 A ATOM 26 C LIG 1 0.876 6.734 0.473 0.00 0.00 +0.000 A ATOM 27 C LIG 1 -0.406 6.559 0.985 0.00 0.00 +0.000 A ATOM 28 C LIG 1 -1.138 5.409 0.673 0.00 0.00 +0.005 A ENDBRANCH 18 23 ENDBRANCH 7 17 BRANCH 1 32 ATOM 29 C LIG 1 7.610 0.263 0.970 0.00 0.00 +0.128 C ATOM 30 N LIG 1 6.173 0.358 0.904 0.00 0.00 -0.313 N ATOM 31 H LIG 1 5.726 1.085 1.448 0.00 0.00 +0.149 HD ATOM 32 C LIG 1 5.419 -0.740 0.514 0.00 0.00 +0.262 C ATOM 33 O LIG 1 5.922 -1.789 0.126 0.00 0.00 -0.269 OA ENDBRANCH 1 32 BRANCH 8 34 ATOM 34 C LIG 1 -1.259 -0.923 0.586 0.00 0.00 +0.128 C BRANCH 34 35 ATOM 35 C LIG 1 -1.844 -1.061 -0.837 0.00 0.00 +0.009 C ATOM 36 C LIG 1 -3.140 -1.899 -0.807 0.00 0.00 +0.005 C ATOM 37 C LIG 1 -2.878 -3.375 -1.095 0.00 0.00 +0.003 C ATOM 38 C LIG 1 -2.257 -3.594 -2.486 0.00 0.00 -0.014 C ATOM 39 C LIG 1 -3.316 -3.994 -3.515 0.00 0.00 +0.007 C ATOM 40 C LIG 1 -1.476 -2.365 -2.983 0.00 0.00 +0.003 C ATOM 41 C LIG 1 -0.807 -1.634 -1.825 0.00 0.00 +0.005 C ENDBRANCH 34 35 ENDBRANCH 8 34 TORSDOF 6