REMARK Name = BDB017589 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.872 -0.551 -1.246 0.00 0.00 -0.031 A ATOM 2 C LIG 1 -1.593 0.608 -1.519 0.00 0.00 +0.031 A ATOM 3 C LIG 1 -2.876 0.779 -0.987 0.00 0.00 +0.052 A ATOM 4 C LIG 1 -3.477 -0.178 -0.138 0.00 0.00 +0.025 A ATOM 5 C LIG 1 -4.827 0.167 0.408 0.00 0.00 +0.045 A ATOM 6 N LIG 1 -5.385 -0.633 1.406 0.00 0.00 -0.343 N ATOM 7 H LIG 1 -4.771 -0.645 2.220 0.00 0.00 +0.146 HD ATOM 8 C LIG 1 -6.786 -0.480 1.793 0.00 0.00 +0.102 C ATOM 9 C LIG 1 -7.140 0.998 1.856 0.00 0.00 +0.023 C ATOM 10 C LIG 1 -6.822 1.676 0.522 0.00 0.00 +0.044 C ATOM 11 C LIG 1 -5.479 1.267 -0.026 0.00 0.00 +0.038 A ATOM 12 C LIG 1 -4.862 2.191 -1.007 0.00 0.00 +0.254 A ATOM 13 O LIG 1 -5.458 3.170 -1.447 0.00 0.00 -0.268 OA ATOM 14 C LIG 1 -2.771 -1.390 0.092 0.00 0.00 -0.011 A ATOM 15 N LIG 1 -3.577 1.927 -1.370 0.00 0.00 -0.322 N ATOM 16 H LIG 1 -3.172 2.580 -2.026 0.00 0.00 +0.169 HD ATOM 17 C LIG 1 -1.478 -1.543 -0.465 0.00 0.00 +0.011 A ENDROOT BRANCH 1 18 ATOM 18 C LIG 1 0.507 -0.766 -1.833 0.00 0.00 +0.119 C BRANCH 18 22 ATOM 19 N LIG 1 4.318 -0.100 -0.376 0.00 0.00 -0.327 N ATOM 20 C LIG 1 3.159 0.809 -0.310 0.00 0.00 +0.120 C ATOM 21 C LIG 1 1.862 0.047 0.053 0.00 0.00 +0.103 C ATOM 22 N LIG 1 1.518 -1.098 -0.818 0.00 0.00 -0.295 NA ATOM 23 C LIG 1 2.725 -1.658 -1.465 0.00 0.00 +0.103 C ATOM 24 C LIG 1 4.016 -1.520 -0.627 0.00 0.00 +0.120 C BRANCH 19 29 ATOM 25 C LIG 1 8.236 1.248 0.488 0.00 0.00 +0.087 A ATOM 26 C LIG 1 7.908 -0.096 0.589 0.00 0.00 +0.142 A ATOM 27 F LIG 1 8.830 -0.994 0.967 0.00 0.00 -0.204 F ATOM 28 C LIG 1 6.616 -0.546 0.304 0.00 0.00 +0.062 A ATOM 29 C LIG 1 5.599 0.337 -0.089 0.00 0.00 +0.033 A ATOM 30 C LIG 1 5.955 1.695 -0.187 0.00 0.00 +0.024 A ATOM 31 C LIG 1 7.251 2.151 0.096 0.00 0.00 +0.023 A BRANCH 25 33 ATOM 32 N LIG 1 10.627 2.096 1.010 0.00 0.00 -0.191 NA ATOM 33 C LIG 1 9.561 1.698 0.780 0.00 0.00 +0.102 C ENDBRANCH 25 33 ENDBRANCH 19 29 ENDBRANCH 18 22 ENDBRANCH 1 18 BRANCH 14 34 ATOM 34 C LIG 1 -3.370 -2.546 0.868 0.00 0.00 +0.191 C BRANCH 34 35 ATOM 35 O LIG 1 -2.549 -3.715 0.873 0.00 0.00 -0.390 OA ATOM 36 H LIG 1 -1.823 -3.537 1.495 0.00 0.00 +0.210 HD ENDBRANCH 34 35 ENDBRANCH 14 34 TORSDOF 6