REMARK Name = BDB064287 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 1.194 -0.735 0.820 0.00 0.00 -0.268 N ATOM 2 H LIG 1 1.639 -0.500 1.694 0.00 0.00 +0.156 HD ENDROOT BRANCH 1 3 ATOM 3 C LIG 1 2.083 -0.737 -0.238 0.00 0.00 +0.221 A ATOM 4 N LIG 1 3.358 -0.448 0.080 0.00 0.00 -0.211 NA ATOM 5 C LIG 1 4.293 -0.425 -0.907 0.00 0.00 +0.111 A ATOM 6 C LIG 1 3.952 -0.702 -2.215 0.00 0.00 +0.167 A ATOM 7 F LIG 1 4.839 -0.717 -3.218 0.00 0.00 -0.202 F ATOM 8 C LIG 1 2.633 -0.989 -2.453 0.00 0.00 +0.155 A ATOM 9 N LIG 1 1.688 -1.008 -1.491 0.00 0.00 -0.220 NA BRANCH 5 10 ATOM 10 C LIG 1 5.667 -0.093 -0.466 0.00 0.00 +0.005 A ATOM 11 C LIG 1 6.562 0.616 -1.292 0.00 0.00 +0.027 A ATOM 12 C LIG 1 7.858 0.910 -0.826 0.00 0.00 +0.040 A ATOM 13 C LIG 1 8.294 0.524 0.440 0.00 0.00 +0.079 A ATOM 14 N LIG 1 9.593 0.883 0.757 0.00 0.00 -0.244 NA ATOM 15 C LIG 1 10.136 1.532 -0.248 0.00 0.00 +0.076 A ATOM 16 C LIG 1 11.525 2.066 -0.250 0.00 0.00 +0.073 C ATOM 17 C LIG 1 7.403 -0.177 1.272 0.00 0.00 +0.029 A ATOM 18 S LIG 1 9.132 1.752 -1.623 0.00 0.00 -0.072 S ATOM 19 C LIG 1 6.111 -0.472 0.813 0.00 0.00 +0.012 A ENDBRANCH 5 10 ENDBRANCH 1 3 BRANCH 1 23 ATOM 20 C LIG 1 -2.852 -1.390 1.450 0.00 0.00 +0.055 A ATOM 21 C LIG 1 -1.949 -1.069 2.447 0.00 0.00 +0.126 A ATOM 22 N LIG 1 -0.629 -0.845 2.223 0.00 0.00 -0.239 NA ATOM 23 C LIG 1 -0.158 -0.977 0.960 0.00 0.00 +0.125 A ATOM 24 C LIG 1 -1.005 -1.335 -0.086 0.00 0.00 +0.044 A ATOM 25 C LIG 1 -2.364 -1.550 0.159 0.00 0.00 +0.018 A BRANCH 20 32 ATOM 26 C LIG 1 -8.507 2.566 -0.961 0.00 0.00 +0.109 C ATOM 27 C LIG 1 -8.621 1.088 -0.683 0.00 0.00 +0.213 C ATOM 28 N LIG 1 -7.516 0.464 -0.130 0.00 0.00 -0.299 N ATOM 29 C LIG 1 -7.619 -0.954 0.231 0.00 0.00 +0.126 C ATOM 30 C LIG 1 -6.654 -1.348 1.353 0.00 0.00 +0.127 C ATOM 31 N LIG 1 -5.262 -1.000 1.051 0.00 0.00 -0.294 N ATOM 32 C LIG 1 -4.264 -1.615 1.803 0.00 0.00 +0.248 C ATOM 33 O LIG 1 -4.503 -2.347 2.760 0.00 0.00 -0.270 OA ATOM 34 C LIG 1 -5.050 0.140 0.148 0.00 0.00 +0.127 C ATOM 35 C LIG 1 -6.233 1.122 0.136 0.00 0.00 +0.126 C ATOM 36 O LIG 1 -9.659 0.483 -0.952 0.00 0.00 -0.276 OA ENDBRANCH 20 32 ENDBRANCH 1 23 TORSDOF 4