REMARK Name = BDB034385 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -3.646 1.624 1.160 0.00 0.00 -0.041 A ATOM 2 C LIG 1 -2.689 1.137 2.062 0.00 0.00 +0.032 A ATOM 3 C LIG 1 -1.365 0.920 1.702 0.00 0.00 +0.073 A ATOM 4 C LIG 1 -0.958 1.180 0.372 0.00 0.00 +0.021 A ATOM 5 C LIG 1 0.402 0.925 0.024 0.00 0.00 +0.038 A ATOM 6 C LIG 1 1.266 0.513 1.039 0.00 0.00 +0.043 A ATOM 7 C LIG 1 0.762 0.296 2.308 0.00 0.00 +0.113 A ATOM 8 C LIG 1 -1.924 1.686 -0.533 0.00 0.00 +0.012 A ATOM 9 N LIG 1 -0.526 0.477 2.649 0.00 0.00 -0.255 NA ATOM 10 C LIG 1 -3.248 1.901 -0.146 0.00 0.00 +0.005 A ENDROOT BRANCH 5 11 ATOM 11 N LIG 1 0.849 1.182 -1.288 0.00 0.00 -0.343 N ATOM 12 H LIG 1 0.150 0.874 -1.961 0.00 0.00 +0.146 HD BRANCH 11 13 ATOM 13 C LIG 1 2.204 0.844 -1.725 0.00 0.00 +0.103 C BRANCH 13 14 ATOM 14 C LIG 1 3.163 1.999 -1.432 0.00 0.00 +0.034 C BRANCH 14 15 ATOM 15 C LIG 1 4.582 1.721 -1.931 0.00 0.00 +0.083 C BRANCH 15 16 ATOM 16 N LIG 1 5.184 0.607 -1.199 0.00 0.00 -0.312 NA ATOM 17 H LIG 1 5.263 0.856 -0.212 0.00 0.00 +0.122 HD BRANCH 16 18 ATOM 18 C LIG 1 6.533 0.318 -1.698 0.00 0.00 +0.120 C BRANCH 18 19 ATOM 19 C LIG 1 7.163 -0.814 -0.933 0.00 0.00 +0.012 A ATOM 20 C LIG 1 8.379 -0.678 -0.284 0.00 0.00 +0.171 A ATOM 21 O LIG 1 9.142 0.450 -0.231 0.00 0.00 -0.452 OA ATOM 22 C LIG 1 10.256 -0.003 0.565 0.00 0.00 +0.466 C ATOM 23 O LIG 1 10.149 -1.381 0.969 0.00 0.00 -0.453 OA ATOM 24 C LIG 1 8.960 -1.723 0.403 0.00 0.00 +0.167 A ATOM 25 C LIG 1 8.368 -2.965 0.483 0.00 0.00 +0.049 A ATOM 26 C LIG 1 7.144 -3.142 -0.162 0.00 0.00 +0.004 A ATOM 27 C LIG 1 6.549 -2.078 -0.865 0.00 0.00 +0.009 A ENDBRANCH 18 19 ENDBRANCH 16 18 ENDBRANCH 15 16 ENDBRANCH 14 15 ENDBRANCH 13 14 ENDBRANCH 11 13 ENDBRANCH 5 11 BRANCH 1 28 ATOM 28 C LIG 1 -5.075 1.841 1.598 0.00 0.00 +0.070 C BRANCH 28 33 ATOM 29 C LIG 1 -6.959 -1.435 1.041 0.00 0.00 +0.124 A ATOM 30 C LIG 1 -7.825 -1.084 0.001 0.00 0.00 +0.091 A ATOM 31 C LIG 1 -7.803 0.212 -0.522 0.00 0.00 +0.124 A ATOM 32 C LIG 1 -6.913 1.154 0.000 0.00 0.00 +0.049 A ATOM 33 C LIG 1 -6.041 0.821 1.044 0.00 0.00 -0.036 A ATOM 34 C LIG 1 -6.074 -0.483 1.554 0.00 0.00 +0.049 A BRANCH 29 36 ATOM 35 C LIG 1 -7.730 -3.686 1.143 0.00 0.00 +0.277 C ATOM 36 O LIG 1 -6.878 -2.663 1.641 0.00 0.00 -0.495 OA ENDBRANCH 29 36 BRANCH 31 37 ATOM 37 O LIG 1 -8.592 0.683 -1.537 0.00 0.00 -0.495 OA ATOM 38 C LIG 1 -9.519 -0.228 -2.113 0.00 0.00 +0.277 C ENDBRANCH 31 37 ENDBRANCH 28 33 ENDBRANCH 1 28 TORSDOF 11