REMARK Name = BDB019582 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.680 0.808 -0.899 0.00 0.00 +0.038 A ATOM 2 C LIG 1 0.544 -0.220 -1.840 0.00 0.00 +0.021 A ATOM 3 C LIG 1 -0.721 -0.598 -2.313 0.00 0.00 -0.015 A ATOM 4 C LIG 1 -1.851 0.089 -1.837 0.00 0.00 +0.013 A ATOM 5 C LIG 1 -1.731 1.134 -0.908 0.00 0.00 -0.029 A ATOM 6 C LIG 1 -0.455 1.489 -0.445 0.00 0.00 +0.018 A ENDROOT BRANCH 3 7 ATOM 7 C LIG 1 -0.858 -1.680 -3.294 0.00 0.00 +0.003 A ATOM 8 C LIG 1 -1.262 -2.983 -2.950 0.00 0.00 +0.049 A ATOM 9 C LIG 1 -1.572 -3.362 -1.529 0.00 0.00 +0.066 C ATOM 10 N LIG 1 -1.397 -3.981 -3.863 0.00 0.00 -0.224 NA ATOM 11 C LIG 1 -1.115 -3.691 -5.148 0.00 0.00 +0.213 A ATOM 12 F LIG 1 -1.246 -4.675 -6.049 0.00 0.00 -0.184 F ATOM 13 C LIG 1 -0.703 -2.448 -5.585 0.00 0.00 +0.060 A ATOM 14 C LIG 1 -0.574 -1.432 -4.645 0.00 0.00 +0.014 A ENDBRANCH 3 7 BRANCH 1 17 ATOM 15 N LIG 1 2.141 1.697 0.835 0.00 0.00 -0.306 N ATOM 16 H LIG 1 1.363 1.580 1.472 0.00 0.00 +0.149 HD ATOM 17 C LIG 1 2.048 1.159 -0.429 0.00 0.00 +0.244 C ATOM 18 O LIG 1 3.020 0.933 -1.142 0.00 0.00 -0.270 OA BRANCH 15 19 ATOM 19 C LIG 1 3.431 1.894 1.465 0.00 0.00 +0.160 C BRANCH 19 22 ATOM 20 C LIG 1 4.918 -1.482 2.325 0.00 0.00 +0.123 A ATOM 21 C LIG 1 4.582 -0.343 1.602 0.00 0.00 +0.070 A ATOM 22 C LIG 1 3.858 0.666 2.236 0.00 0.00 +0.062 A ATOM 23 N LIG 1 3.448 0.575 3.527 0.00 0.00 -0.258 NA ATOM 24 C LIG 1 3.797 -0.539 4.205 0.00 0.00 +0.114 A ATOM 25 C LIG 1 4.523 -1.578 3.655 0.00 0.00 +0.065 A BRANCH 20 27 ATOM 26 C LIG 1 5.981 -2.532 0.476 0.00 0.00 +0.277 C ATOM 27 O LIG 1 5.619 -2.557 1.853 0.00 0.00 -0.495 OA ENDBRANCH 20 27 ENDBRANCH 19 22 ENDBRANCH 15 19 ENDBRANCH 1 17 BRANCH 5 28 ATOM 28 C LIG 1 -2.954 1.871 -0.413 0.00 0.00 +0.139 C BRANCH 28 29 ATOM 29 N LIG 1 -3.110 1.642 1.009 0.00 0.00 -0.313 N ATOM 30 H LIG 1 -3.022 0.657 1.247 0.00 0.00 +0.149 HD BRANCH 29 31 ATOM 31 C LIG 1 -4.141 2.169 1.702 0.00 0.00 +0.176 C ATOM 32 N LIG 1 -4.480 3.460 1.456 0.00 0.00 -0.316 N ATOM 33 H LIG 1 -3.679 4.068 1.339 0.00 0.00 +0.149 HD ATOM 34 C LIG 1 -5.395 3.858 2.506 0.00 0.00 +0.127 C ATOM 35 C LIG 1 -5.821 2.501 3.075 0.00 0.00 +0.163 C ATOM 36 N LIG 1 -4.804 1.518 2.612 0.00 0.00 -0.255 NA ENDBRANCH 29 31 ENDBRANCH 28 29 ENDBRANCH 5 28 TORSDOF 8