REMARK Name = BDB017479 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 3.209 0.106 -2.328 0.00 0.00 -0.041 A ATOM 2 C LIG 1 3.149 1.358 -1.688 0.00 0.00 +0.031 A ATOM 3 C LIG 1 2.002 1.687 -0.955 0.00 0.00 +0.067 A ATOM 4 C LIG 1 0.897 0.851 -0.849 0.00 0.00 +0.027 A ATOM 5 C LIG 1 -0.030 1.574 -0.033 0.00 0.00 +0.093 A ATOM 6 N LIG 1 0.484 2.745 0.368 0.00 0.00 -0.173 NA ATOM 7 C LIG 1 0.949 -0.398 -1.495 0.00 0.00 +0.012 A ATOM 8 N LIG 1 1.691 2.792 -0.215 0.00 0.00 -0.276 N ATOM 9 H LIG 1 2.267 3.610 -0.059 0.00 0.00 +0.189 HD ATOM 10 C LIG 1 2.096 -0.745 -2.227 0.00 0.00 +0.005 A ENDROOT BRANCH 1 15 ATOM 11 C LIG 1 6.031 -0.300 1.378 0.00 0.00 +0.120 A ATOM 12 C LIG 1 5.439 -0.596 0.142 0.00 0.00 +0.052 A ATOM 13 C LIG 1 6.115 -0.291 -1.030 0.00 0.00 -0.007 A ATOM 14 C LIG 1 5.792 -0.468 -2.487 0.00 0.00 +0.081 C ATOM 15 C LIG 1 4.430 -0.288 -3.127 0.00 0.00 +0.040 C ATOM 16 C LIG 1 7.022 0.048 -3.200 0.00 0.00 +0.228 C ATOM 17 N LIG 1 7.901 0.487 -2.226 0.00 0.00 -0.284 N ATOM 18 H LIG 1 8.806 0.873 -2.445 0.00 0.00 +0.155 HD ATOM 19 O LIG 1 7.183 0.067 -4.408 0.00 0.00 -0.274 OA ATOM 20 C LIG 1 5.041 -1.668 -2.987 0.00 0.00 +0.031 C ATOM 21 C LIG 1 7.387 0.291 -0.943 0.00 0.00 +0.038 A ATOM 22 C LIG 1 8.002 0.594 0.254 0.00 0.00 +0.027 A ATOM 23 C LIG 1 7.306 0.294 1.429 0.00 0.00 +0.047 A BRANCH 11 25 ATOM 24 C LIG 1 5.797 -0.343 3.748 0.00 0.00 +0.277 C ATOM 25 O LIG 1 5.267 -0.640 2.462 0.00 0.00 -0.495 OA ENDBRANCH 11 25 ENDBRANCH 1 15 BRANCH 5 26 ATOM 26 C LIG 1 -1.342 1.168 0.380 0.00 0.00 +0.031 C ATOM 27 C LIG 1 -2.203 0.414 -0.325 0.00 0.00 +0.011 C BRANCH 27 28 ATOM 28 C LIG 1 -3.545 0.044 0.138 0.00 0.00 -0.007 A ATOM 29 C LIG 1 -4.365 0.879 0.886 0.00 0.00 +0.120 A ATOM 30 N LIG 1 -5.618 0.564 1.299 0.00 0.00 -0.240 NA ATOM 31 C LIG 1 -6.135 -0.633 0.949 0.00 0.00 +0.121 A ATOM 32 C LIG 1 -5.374 -1.530 0.197 0.00 0.00 +0.044 A ATOM 33 C LIG 1 -4.084 -1.188 -0.218 0.00 0.00 +0.013 A BRANCH 31 34 ATOM 34 N LIG 1 -7.411 -0.973 1.386 0.00 0.00 -0.311 N ATOM 35 C LIG 1 -8.048 -0.013 2.304 0.00 0.00 +0.134 C ATOM 36 C LIG 1 -9.427 -0.548 2.719 0.00 0.00 +0.178 C ATOM 37 O LIG 1 -10.333 -0.747 1.620 0.00 0.00 -0.377 OA ATOM 38 C LIG 1 -9.668 -0.882 0.357 0.00 0.00 +0.178 C ATOM 39 C LIG 1 -8.329 -1.634 0.442 0.00 0.00 +0.134 C ENDBRANCH 31 34 ENDBRANCH 27 28 ENDBRANCH 5 26 TORSDOF 5