REMARK Name = BDB056378 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.865 -2.058 1.314 0.00 0.00 +0.104 A ATOM 2 C LIG 1 -3.565 -1.589 0.184 0.00 0.00 +0.146 A ATOM 3 C LIG 1 -4.888 -1.976 -0.069 0.00 0.00 +0.092 A ATOM 4 C LIG 1 -5.540 -2.810 0.827 0.00 0.00 +0.124 A ATOM 5 C LIG 1 -4.892 -3.274 1.962 0.00 0.00 +0.091 A ATOM 6 C LIG 1 -3.566 -2.901 2.200 0.00 0.00 +0.135 A ENDROOT BRANCH 1 10 ATOM 7 C LIG 1 0.670 -1.096 1.658 0.00 0.00 +0.168 A ATOM 8 N LIG 1 0.237 -1.232 2.923 0.00 0.00 -0.073 NA ATOM 9 O LIG 1 -1.093 -1.573 2.847 0.00 0.00 -0.354 OA ATOM 10 C LIG 1 -1.474 -1.680 1.546 0.00 0.00 +0.175 A ATOM 11 C LIG 1 -0.391 -1.379 0.753 0.00 0.00 +0.086 A BRANCH 7 14 ATOM 12 N LIG 1 2.310 -0.343 0.062 0.00 0.00 -0.307 N ATOM 13 H LIG 1 1.524 -0.226 -0.560 0.00 0.00 +0.149 HD ATOM 14 C LIG 1 2.064 -0.718 1.374 0.00 0.00 +0.266 C ATOM 15 O LIG 1 2.938 -0.728 2.234 0.00 0.00 -0.268 OA BRANCH 12 20 ATOM 16 C LIG 1 7.699 1.298 -0.822 0.00 0.00 +0.104 C ATOM 17 N LIG 1 6.421 0.832 -0.284 0.00 0.00 -0.305 NA ATOM 18 C LIG 1 6.009 -0.418 -0.934 0.00 0.00 +0.086 C ATOM 19 C LIG 1 4.702 -0.948 -0.343 0.00 0.00 +0.037 C ATOM 20 C LIG 1 3.606 0.115 -0.433 0.00 0.00 +0.076 C ATOM 21 C LIG 1 4.068 1.424 0.207 0.00 0.00 +0.037 C ATOM 22 C LIG 1 5.397 1.876 -0.400 0.00 0.00 +0.086 C ENDBRANCH 12 20 ENDBRANCH 7 14 ENDBRANCH 1 10 BRANCH 4 23 ATOM 23 O LIG 1 -6.829 -3.156 0.550 0.00 0.00 -0.507 OA ATOM 24 H LIG 1 -7.155 -3.741 1.256 0.00 0.00 +0.292 HD ENDBRANCH 4 23 BRANCH 6 25 ATOM 25 O LIG 1 -3.016 -3.434 3.338 0.00 0.00 -0.506 OA ATOM 26 H LIG 1 -2.121 -3.072 3.476 0.00 0.00 +0.292 HD ENDBRANCH 6 25 BRANCH 2 27 ATOM 27 O LIG 1 -2.925 -0.775 -0.730 0.00 0.00 -0.455 OA BRANCH 27 28 ATOM 28 C LIG 1 -3.444 0.489 -0.909 0.00 0.00 +0.129 A ATOM 29 C LIG 1 -3.457 0.975 -2.219 0.00 0.00 +0.048 A ATOM 30 C LIG 1 -3.937 2.260 -2.486 0.00 0.00 +0.036 A ATOM 31 C LIG 1 -4.391 3.059 -1.428 0.00 0.00 +0.126 A ATOM 32 C LIG 1 -4.362 2.583 -0.110 0.00 0.00 +0.036 A ATOM 33 C LIG 1 -3.880 1.296 0.148 0.00 0.00 +0.048 A BRANCH 31 34 ATOM 34 N LIG 1 -4.894 4.412 -1.702 0.00 0.00 +0.056 N ATOM 35 O LIG 1 -5.306 5.079 -0.744 0.00 0.00 -0.126 OA ATOM 36 O LIG 1 -4.875 4.805 -2.877 0.00 0.00 -0.126 OA ENDBRANCH 31 34 ENDBRANCH 27 28 ENDBRANCH 2 27 TORSDOF 8