REMARK Name = BDB056710 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.518 -0.973 -0.214 0.00 0.00 +0.234 C ATOM 2 N LIG 1 1.577 -1.621 0.416 0.00 0.00 -0.268 N ATOM 3 C LIG 1 2.929 -1.246 0.335 0.00 0.00 +0.059 A ATOM 4 C LIG 1 3.733 -2.108 1.070 0.00 0.00 +0.070 A ATOM 5 N LIG 1 5.071 -2.007 1.185 0.00 0.00 -0.257 NA ATOM 6 C LIG 1 5.628 -0.966 0.517 0.00 0.00 +0.117 A ATOM 7 C LIG 1 4.915 -0.036 -0.249 0.00 0.00 +0.005 A ATOM 8 C LIG 1 2.918 -3.204 1.720 0.00 0.00 +0.025 C ATOM 9 C LIG 1 3.289 -4.570 1.135 0.00 0.00 +0.019 C ATOM 10 C LIG 1 3.093 -3.199 3.240 0.00 0.00 +0.019 C ATOM 11 C LIG 1 3.521 -0.193 -0.335 0.00 0.00 +0.033 A ATOM 12 C LIG 1 1.481 -2.789 1.314 0.00 0.00 +0.126 C ATOM 13 O LIG 1 0.671 -0.005 -0.961 0.00 0.00 -0.274 OA ENDROOT BRANCH 1 14 ATOM 14 C LIG 1 -0.874 -1.586 0.083 0.00 0.00 +0.181 C BRANCH 14 21 ATOM 15 C LIG 1 -2.691 -2.374 -3.970 0.00 0.00 +0.025 C ATOM 16 C LIG 1 -3.112 -1.863 -2.592 0.00 0.00 +0.065 C ATOM 17 N LIG 1 -3.413 -3.009 -1.718 0.00 0.00 -0.311 NA ATOM 18 H LIG 1 -2.544 -3.524 -1.578 0.00 0.00 +0.122 HD ATOM 19 C LIG 1 -3.884 -2.528 -0.406 0.00 0.00 +0.101 C ATOM 20 C LIG 1 -3.293 -1.170 0.096 0.00 0.00 +0.085 C ATOM 21 N LIG 1 -1.987 -0.822 -0.517 0.00 0.00 -0.287 NA ATOM 22 C LIG 1 -2.015 -0.934 -1.993 0.00 0.00 +0.103 C BRANCH 20 23 ATOM 23 C LIG 1 -4.365 -0.026 -0.044 0.00 0.00 +0.105 C BRANCH 23 24 ATOM 24 N LIG 1 -3.904 1.364 0.179 0.00 0.00 -0.291 NA ATOM 25 C LIG 1 -3.833 1.831 1.589 0.00 0.00 +0.080 C ATOM 26 C LIG 1 -3.399 0.814 2.644 0.00 0.00 +0.026 C ATOM 27 C LIG 1 -5.146 2.520 2.035 0.00 0.00 +0.178 C ATOM 28 O LIG 1 -5.486 3.678 1.262 0.00 0.00 -0.377 OA ATOM 29 C LIG 1 -4.819 3.719 -0.004 0.00 0.00 +0.178 C ATOM 30 C LIG 1 -4.705 2.318 -0.644 0.00 0.00 +0.080 C ATOM 31 C LIG 1 -4.089 2.445 -2.038 0.00 0.00 +0.026 C ENDBRANCH 23 24 ENDBRANCH 20 23 ENDBRANCH 14 21 ENDBRANCH 1 14 BRANCH 7 32 ATOM 32 C LIG 1 5.593 1.121 -0.943 0.00 0.00 +0.176 C BRANCH 32 33 ATOM 33 C LIG 1 5.423 2.441 -0.211 0.00 0.00 -0.015 A ATOM 34 C LIG 1 4.526 3.409 -0.696 0.00 0.00 +0.009 A ATOM 35 C LIG 1 4.356 4.619 -0.020 0.00 0.00 +0.039 A ATOM 36 C LIG 1 5.079 4.864 1.141 0.00 0.00 +0.123 A ATOM 37 F LIG 1 4.916 6.026 1.787 0.00 0.00 -0.205 F ATOM 38 C LIG 1 5.966 3.921 1.643 0.00 0.00 +0.039 A ATOM 39 C LIG 1 6.138 2.710 0.971 0.00 0.00 +0.009 A ENDBRANCH 32 33 BRANCH 32 40 ATOM 40 O LIG 1 6.984 0.860 -1.135 0.00 0.00 -0.382 OA ATOM 41 H LIG 1 7.401 1.714 -1.339 0.00 0.00 +0.211 HD ENDBRANCH 32 40 ENDBRANCH 7 32 TORSDOF 7