REMARK Name = BDB026701 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 4.047 -0.207 -0.177 0.00 0.00 +0.039 A ATOM 2 C LIG 1 3.349 -1.419 -0.267 0.00 0.00 +0.043 A ATOM 3 C LIG 1 1.948 -1.400 -0.202 0.00 0.00 +0.091 A ATOM 4 N LIG 1 1.083 -2.454 -0.219 0.00 0.00 -0.227 NA ATOM 5 C LIG 1 -0.129 -1.941 -0.149 0.00 0.00 +0.147 A ATOM 6 N LIG 1 -0.080 -0.547 -0.046 0.00 0.00 -0.292 N ATOM 7 C LIG 1 1.268 -0.191 -0.088 0.00 0.00 +0.074 A ATOM 8 C LIG 1 1.955 1.031 0.023 0.00 0.00 +0.029 A ATOM 9 C LIG 1 3.355 1.001 -0.037 0.00 0.00 +0.015 A ENDROOT BRANCH 6 10 ATOM 10 C LIG 1 -1.180 0.348 0.095 0.00 0.00 +0.049 A ATOM 11 C LIG 1 -1.188 1.563 -0.605 0.00 0.00 +0.031 A ATOM 12 C LIG 1 -2.268 2.445 -0.473 0.00 0.00 -0.024 A ATOM 13 C LIG 1 -2.354 3.701 -1.296 0.00 0.00 +0.046 C ATOM 14 C LIG 1 -3.154 4.776 -0.580 0.00 0.00 +0.101 C ATOM 15 C LIG 1 -4.457 4.242 -0.031 0.00 0.00 +0.218 C ATOM 16 N LIG 1 -4.430 2.968 0.471 0.00 0.00 -0.285 N ATOM 17 H LIG 1 -5.270 2.671 0.954 0.00 0.00 +0.155 HD ATOM 18 O LIG 1 -5.468 4.934 0.055 0.00 0.00 -0.275 OA ATOM 19 C LIG 1 -3.342 2.100 0.353 0.00 0.00 +0.037 A ATOM 20 C LIG 1 -3.349 0.887 1.038 0.00 0.00 +0.025 A ATOM 21 C LIG 1 -2.265 0.013 0.916 0.00 0.00 +0.028 A ENDBRANCH 6 10 BRANCH 5 22 ATOM 22 C LIG 1 -1.331 -2.775 -0.263 0.00 0.00 +0.032 A ATOM 23 C LIG 1 -1.551 -3.851 0.611 0.00 0.00 +0.083 A ATOM 24 C LIG 1 -2.692 -4.617 0.406 0.00 0.00 +0.123 A ATOM 25 N LIG 1 -3.600 -4.385 -0.568 0.00 0.00 -0.263 NA ATOM 26 C LIG 1 -3.354 -3.358 -1.403 0.00 0.00 +0.111 A ATOM 27 C LIG 1 -2.246 -2.539 -1.297 0.00 0.00 +0.032 A BRANCH 23 28 ATOM 28 C LIG 1 -0.623 -4.206 1.734 0.00 0.00 +0.419 C ATOM 29 F LIG 1 -0.215 -3.123 2.455 0.00 0.00 -0.166 F ATOM 30 F LIG 1 -1.214 -5.027 2.654 0.00 0.00 -0.166 F ATOM 31 F LIG 1 0.496 -4.864 1.336 0.00 0.00 -0.166 F ENDBRANCH 23 28 ENDBRANCH 5 22 BRANCH 1 35 ATOM 32 C LIG 1 7.639 0.679 0.582 0.00 0.00 +0.128 C ATOM 33 N LIG 1 6.202 0.715 0.480 0.00 0.00 -0.314 N ATOM 34 H LIG 1 5.694 1.216 1.197 0.00 0.00 +0.149 HD ATOM 35 C LIG 1 5.532 -0.249 -0.247 0.00 0.00 +0.244 C ATOM 36 O LIG 1 6.093 -1.122 -0.898 0.00 0.00 -0.270 OA ENDBRANCH 1 35 TORSDOF 4