REMARK Name = BDB000269 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.678 -1.546 0.745 0.00 0.00 +0.121 A ATOM 2 C LIG 1 0.796 -1.121 -0.240 0.00 0.00 +0.047 A ATOM 3 C LIG 1 -0.128 -0.101 0.033 0.00 0.00 +0.027 A ATOM 4 C LIG 1 -0.204 0.523 1.288 0.00 0.00 +0.030 A ATOM 5 C LIG 1 0.701 0.085 2.261 0.00 0.00 +0.027 A ATOM 6 C LIG 1 1.623 -0.936 1.997 0.00 0.00 +0.047 A ENDROOT BRANCH 4 7 ATOM 7 N LIG 1 -1.136 1.529 1.522 0.00 0.00 -0.322 N ATOM 8 C LIG 1 -2.557 1.295 1.124 0.00 0.00 +0.113 C ATOM 9 C LIG 1 -3.452 2.513 1.520 0.00 0.00 +0.105 C ATOM 10 N LIG 1 -2.757 3.806 1.361 0.00 0.00 -0.313 NA ATOM 11 H LIG 1 -2.357 3.804 0.420 0.00 0.00 +0.122 HD ATOM 12 C LIG 1 -1.610 3.845 2.295 0.00 0.00 +0.100 C ATOM 13 C LIG 1 -0.947 2.481 2.628 0.00 0.00 +0.120 C BRANCH 8 14 ATOM 14 C LIG 1 -3.146 0.007 1.745 0.00 0.00 +0.183 C BRANCH 14 15 ATOM 15 O LIG 1 -4.501 -0.211 1.339 0.00 0.00 -0.373 OA BRANCH 15 16 ATOM 16 C LIG 1 -4.596 -0.918 0.104 0.00 0.00 +0.195 C BRANCH 16 17 ATOM 17 C LIG 1 -6.041 -0.966 -0.315 0.00 0.00 -0.021 A ATOM 18 C LIG 1 -6.729 0.221 -0.614 0.00 0.00 +0.014 A ATOM 19 C LIG 1 -8.075 0.203 -1.019 0.00 0.00 -0.018 A ATOM 20 C LIG 1 -8.748 -1.035 -1.124 0.00 0.00 -0.018 A ATOM 21 C LIG 1 -10.093 -1.053 -1.528 0.00 0.00 +0.008 A ATOM 22 C LIG 1 -10.766 0.134 -1.824 0.00 0.00 +0.001 A ATOM 23 C LIG 1 -10.103 1.353 -1.720 0.00 0.00 +0.001 A ATOM 24 C LIG 1 -8.058 -2.219 -0.821 0.00 0.00 +0.009 A ATOM 25 C LIG 1 -8.766 1.388 -1.319 0.00 0.00 +0.008 A ATOM 26 C LIG 1 -6.719 -2.184 -0.420 0.00 0.00 +0.006 A ENDBRANCH 16 17 ENDBRANCH 15 16 ENDBRANCH 14 15 ENDBRANCH 8 14 ENDBRANCH 4 7 BRANCH 1 27 ATOM 27 O LIG 1 2.622 -2.524 0.631 0.00 0.00 -0.492 OA BRANCH 27 28 ATOM 28 C LIG 1 2.847 -3.126 -0.641 0.00 0.00 +0.231 C BRANCH 28 29 ATOM 29 C LIG 1 3.745 -2.292 -1.560 0.00 0.00 +0.069 C BRANCH 29 30 ATOM 30 C LIG 1 5.163 -2.118 -1.019 0.00 0.00 +0.163 C BRANCH 30 31 ATOM 31 O LIG 1 5.157 -1.199 0.070 0.00 0.00 -0.375 OA BRANCH 31 32 ATOM 32 C LIG 1 6.465 -0.964 0.599 0.00 0.00 +0.198 C BRANCH 32 34 ATOM 33 C LIG 1 8.597 -0.049 -0.457 0.00 0.00 +0.125 A ATOM 34 C LIG 1 7.219 0.075 -0.202 0.00 0.00 +0.020 A ATOM 35 C LIG 1 6.537 1.220 -0.656 0.00 0.00 +0.009 A ATOM 36 C LIG 1 7.203 2.211 -1.373 0.00 0.00 +0.001 A ATOM 37 C LIG 1 8.562 2.075 -1.637 0.00 0.00 +0.004 A ATOM 38 C LIG 1 9.257 0.952 -1.181 0.00 0.00 +0.046 A BRANCH 33 40 ATOM 39 C LIG 1 10.602 -1.312 -0.166 0.00 0.00 +0.277 C ATOM 40 O LIG 1 9.202 -1.175 0.038 0.00 0.00 -0.495 OA ENDBRANCH 33 40 ENDBRANCH 32 34 ENDBRANCH 31 32 ENDBRANCH 30 31 ENDBRANCH 29 30 ENDBRANCH 28 29 ENDBRANCH 27 28 ENDBRANCH 1 27 TORSDOF 13