REMARK Name = BDB064718 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -7.589 -0.659 -1.798 0.00 0.00 +0.162 A ATOM 2 C LIG 1 -6.968 0.541 -1.451 0.00 0.00 +0.163 A ATOM 3 C LIG 1 -5.758 0.535 -0.752 0.00 0.00 +0.055 A ATOM 4 C LIG 1 -5.150 -0.669 -0.345 0.00 0.00 -0.015 A ATOM 5 C LIG 1 -3.840 -0.680 0.445 0.00 0.00 +0.142 C ATOM 6 N LIG 1 -3.157 -2.008 0.486 0.00 0.00 -0.260 N ATOM 7 C LIG 1 -3.836 -3.207 0.271 0.00 0.00 +0.225 C ATOM 8 C LIG 1 -5.298 -3.158 -0.095 0.00 0.00 +0.132 C ATOM 9 O LIG 1 -3.337 -4.328 0.423 0.00 0.00 -0.275 OA ATOM 10 C LIG 1 -5.817 -1.862 -0.626 0.00 0.00 -0.030 A ATOM 11 C LIG 1 -7.028 -1.854 -1.348 0.00 0.00 +0.053 A ENDROOT BRANCH 5 12 ATOM 12 C LIG 1 -2.895 0.425 -0.073 0.00 0.00 -0.022 A ATOM 13 C LIG 1 -2.691 1.599 0.676 0.00 0.00 +0.007 A ATOM 14 C LIG 1 -1.830 2.596 0.213 0.00 0.00 +0.020 A ATOM 15 C LIG 1 -1.172 2.433 -1.004 0.00 0.00 +0.041 A ATOM 16 CL LIG 1 -0.106 3.660 -1.566 0.00 0.00 -0.084 Cl ATOM 17 C LIG 1 -1.374 1.287 -1.768 0.00 0.00 +0.020 A ATOM 18 C LIG 1 -2.236 0.289 -1.308 0.00 0.00 +0.007 A ENDBRANCH 5 12 BRANCH 6 19 ATOM 19 C LIG 1 -1.809 -2.076 1.005 0.00 0.00 +0.037 A ATOM 20 C LIG 1 -0.880 -2.963 0.450 0.00 0.00 +0.025 A ATOM 21 C LIG 1 0.449 -2.986 0.892 0.00 0.00 +0.025 A ATOM 22 C LIG 1 0.895 -2.123 1.898 0.00 0.00 +0.030 A ATOM 23 C LIG 1 -0.043 -1.263 2.479 0.00 0.00 +0.025 A ATOM 24 C LIG 1 -1.374 -1.240 2.041 0.00 0.00 +0.025 A BRANCH 22 25 ATOM 25 N LIG 1 2.250 -2.172 2.280 0.00 0.00 -0.333 N ATOM 26 C LIG 1 2.486 -3.289 3.203 0.00 0.00 +0.129 C BRANCH 25 27 ATOM 27 C LIG 1 2.853 -0.885 2.663 0.00 0.00 +0.108 C BRANCH 27 28 ATOM 28 C LIG 1 4.352 -0.834 2.290 0.00 0.00 +0.006 C ATOM 29 C LIG 1 4.982 0.444 2.881 0.00 0.00 +0.006 C ATOM 30 C LIG 1 6.209 0.888 2.091 0.00 0.00 +0.019 C ATOM 31 C LIG 1 5.818 1.298 0.653 0.00 0.00 +0.057 C ATOM 32 C LIG 1 4.674 0.419 0.090 0.00 0.00 +0.019 C ATOM 33 C LIG 1 4.589 -0.946 0.768 0.00 0.00 +0.006 C BRANCH 31 34 ATOM 34 N LIG 1 6.946 1.442 -0.291 0.00 0.00 -0.290 NA ATOM 35 C LIG 1 7.648 0.180 -0.613 0.00 0.00 +0.181 C ATOM 36 C LIG 1 8.825 0.355 -1.594 0.00 0.00 +0.229 C ATOM 37 O LIG 1 9.174 -0.580 -2.318 0.00 0.00 -0.274 OA ATOM 38 N LIG 1 9.536 1.553 -1.534 0.00 0.00 -0.302 N ATOM 39 C LIG 1 10.617 1.754 -2.480 0.00 0.00 +0.132 C ATOM 40 C LIG 1 8.882 2.747 -1.016 0.00 0.00 +0.123 C ATOM 41 C LIG 1 7.920 2.452 0.139 0.00 0.00 +0.104 C ENDBRANCH 31 34 ENDBRANCH 27 28 ENDBRANCH 25 27 ENDBRANCH 22 25 ENDBRANCH 6 19 BRANCH 1 43 ATOM 42 C LIG 1 -8.925 -1.645 -3.470 0.00 0.00 +0.277 C ATOM 43 O LIG 1 -8.749 -0.596 -2.523 0.00 0.00 -0.491 OA ENDBRANCH 1 43 BRANCH 2 44 ATOM 44 O LIG 1 -7.437 1.766 -1.849 0.00 0.00 -0.486 OA BRANCH 44 45 ATOM 45 C LIG 1 -8.679 2.122 -1.220 0.00 0.00 +0.167 C ATOM 46 C LIG 1 -8.385 3.144 -0.127 0.00 0.00 +0.051 C ATOM 47 C LIG 1 -9.578 2.729 -2.290 0.00 0.00 +0.051 C ENDBRANCH 44 45 ENDBRANCH 2 44 TORSDOF 9