REMARK Name = BDB063520 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.466 1.202 -0.114 0.00 0.00 +0.209 C ATOM 2 C LIG 1 1.521 -0.369 -0.364 0.00 0.00 +0.054 C ATOM 3 C LIG 1 0.238 -1.105 0.231 0.00 0.00 +0.080 C ATOM 4 C LIG 1 0.386 -2.671 0.354 0.00 0.00 +0.096 C ATOM 5 C LIG 1 1.719 -3.073 1.008 0.00 0.00 +0.041 C ATOM 6 C LIG 1 2.921 -2.460 0.309 0.00 0.00 +0.048 C ATOM 7 C LIG 1 -1.218 -0.747 -0.306 0.00 0.00 +0.219 C ATOM 8 C LIG 1 -2.223 0.021 0.653 0.00 0.00 +0.156 C ATOM 9 C LIG 1 -2.709 1.410 0.141 0.00 0.00 +0.236 C ATOM 10 O LIG 1 -3.970 1.628 0.806 0.00 0.00 -0.454 OA ATOM 11 C LIG 1 -4.530 0.425 1.092 0.00 0.00 +0.314 C ATOM 12 O LIG 1 -5.646 0.293 1.569 0.00 0.00 -0.250 OA ATOM 13 C LIG 1 -2.019 2.741 0.208 0.00 0.00 +0.026 C ATOM 14 C LIG 1 -0.919 3.221 0.810 0.00 0.00 -0.023 C ATOM 15 C LIG 1 -0.033 2.447 1.636 0.00 0.00 +0.005 C ATOM 16 C LIG 1 -3.611 -0.686 0.663 0.00 0.00 +0.134 C ATOM 17 C LIG 1 -3.773 -1.900 1.569 0.00 0.00 +0.022 C ATOM 18 C LIG 1 1.732 -0.614 -1.884 0.00 0.00 +0.019 C ATOM 19 C LIG 1 2.836 -0.929 0.333 0.00 0.00 +0.187 C ATOM 20 C LIG 1 0.955 1.626 1.252 0.00 0.00 +0.018 C ENDROOT BRANCH 4 21 ATOM 21 O LIG 1 -0.636 -3.089 1.292 0.00 0.00 -0.386 OA ATOM 22 H LIG 1 -0.676 -4.066 1.193 0.00 0.00 +0.210 HD ENDBRANCH 4 21 BRANCH 8 23 ATOM 23 O LIG 1 -1.770 0.061 2.012 0.00 0.00 -0.380 OA ATOM 24 H LIG 1 -1.547 -0.848 2.291 0.00 0.00 +0.211 HD ENDBRANCH 8 23 BRANCH 1 25 ATOM 25 O LIG 1 0.692 1.848 -1.140 0.00 0.00 -0.457 OA BRANCH 25 27 ATOM 26 C LIG 1 0.411 3.286 -2.977 0.00 0.00 +0.136 C ATOM 27 C LIG 1 1.361 2.660 -2.003 0.00 0.00 +0.305 C ATOM 28 O LIG 1 2.573 2.821 -2.032 0.00 0.00 -0.251 OA ENDBRANCH 25 27 ENDBRANCH 1 25 BRANCH 4 29 ATOM 29 C LIG 1 0.150 -3.502 -0.937 0.00 0.00 +0.190 C BRANCH 29 30 ATOM 30 O LIG 1 -0.017 -4.878 -0.561 0.00 0.00 -0.392 OA ATOM 31 H LIG 1 -0.220 -5.370 -1.378 0.00 0.00 +0.210 HD ENDBRANCH 29 30 ENDBRANCH 4 29 BRANCH 7 32 ATOM 32 O LIG 1 -1.167 -0.127 -1.609 0.00 0.00 -0.458 OA BRANCH 32 33 ATOM 33 C LIG 1 -1.935 -0.641 -2.609 0.00 0.00 +0.304 C ATOM 34 O LIG 1 -2.652 -1.625 -2.514 0.00 0.00 -0.251 OA ATOM 35 C LIG 1 -1.786 0.179 -3.852 0.00 0.00 +0.136 C ENDBRANCH 32 33 ENDBRANCH 7 32 BRANCH 14 36 ATOM 36 C LIG 1 -0.599 4.702 0.760 0.00 0.00 +0.190 C BRANCH 36 37 ATOM 37 O LIG 1 0.531 4.931 -0.072 0.00 0.00 -0.390 OA ATOM 38 H LIG 1 1.268 4.430 0.320 0.00 0.00 +0.210 HD ENDBRANCH 36 37 ENDBRANCH 14 36 BRANCH 19 39 ATOM 39 O LIG 1 2.904 -0.525 1.717 0.00 0.00 -0.461 OA BRANCH 39 40 ATOM 40 C LIG 1 4.148 -0.430 2.268 0.00 0.00 +0.304 C ATOM 41 O LIG 1 5.200 -0.645 1.686 0.00 0.00 -0.251 OA ATOM 42 C LIG 1 4.041 -0.015 3.703 0.00 0.00 +0.136 C ENDBRANCH 39 40 ENDBRANCH 19 39 TORSDOF 12