REMARK Name = BDB055928 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.719 0.416 0.245 0.00 0.00 +0.034 A ATOM 2 C LIG 1 1.005 1.231 1.121 0.00 0.00 +0.025 A ATOM 3 C LIG 1 -0.381 1.385 0.981 0.00 0.00 +0.025 A ATOM 4 C LIG 1 -1.078 0.746 -0.050 0.00 0.00 +0.031 A ATOM 5 C LIG 1 -0.363 -0.102 -0.901 0.00 0.00 +0.025 A ATOM 6 C LIG 1 1.021 -0.259 -0.762 0.00 0.00 +0.025 A ENDROOT BRANCH 1 9 ATOM 7 O LIG 1 3.764 1.724 1.967 0.00 0.00 -0.270 OA ATOM 8 C LIG 1 4.007 0.823 1.174 0.00 0.00 +0.248 C ATOM 9 N LIG 1 3.111 0.203 0.321 0.00 0.00 -0.282 N ATOM 10 H LIG 1 3.496 -0.422 -0.375 0.00 0.00 +0.155 HD BRANCH 8 11 ATOM 11 C LIG 1 5.415 0.349 1.057 0.00 0.00 +0.037 A ATOM 12 C LIG 1 5.723 -0.996 0.816 0.00 0.00 +0.013 A ATOM 13 C LIG 1 7.059 -1.400 0.719 0.00 0.00 +0.013 A ATOM 14 C LIG 1 8.102 -0.471 0.875 0.00 0.00 +0.055 A ATOM 15 C LIG 1 7.782 0.872 1.124 0.00 0.00 +0.013 A ATOM 16 C LIG 1 6.449 1.278 1.224 0.00 0.00 +0.013 A BRANCH 14 17 ATOM 17 C LIG 1 9.542 -0.909 0.748 0.00 0.00 +0.417 C ATOM 18 F LIG 1 9.751 -2.182 1.183 0.00 0.00 -0.166 F ATOM 19 F LIG 1 9.976 -0.879 -0.542 0.00 0.00 -0.166 F ATOM 20 F LIG 1 10.406 -0.127 1.453 0.00 0.00 -0.166 F ENDBRANCH 14 17 ENDBRANCH 8 11 ENDBRANCH 1 9 BRANCH 4 21 ATOM 21 N LIG 1 -2.484 0.875 -0.130 0.00 0.00 -0.314 N ATOM 22 H LIG 1 -2.821 1.633 0.463 0.00 0.00 +0.152 HD BRANCH 21 23 ATOM 23 C LIG 1 -3.292 0.813 -1.300 0.00 0.00 +0.044 A ATOM 24 C LIG 1 -4.614 0.307 -1.265 0.00 0.00 +0.046 A ATOM 25 C LIG 1 -5.361 0.505 -2.441 0.00 0.00 +0.143 A ATOM 26 N LIG 1 -6.702 0.149 -2.486 0.00 0.00 -0.306 N ATOM 27 H LIG 1 -7.196 0.355 -3.342 0.00 0.00 +0.170 HD ATOM 28 C LIG 1 -7.410 -0.376 -1.445 0.00 0.00 +0.258 A ATOM 29 C LIG 1 -6.655 -0.688 -0.207 0.00 0.00 +0.047 A ATOM 30 C LIG 1 -7.345 -1.321 0.841 0.00 0.00 +0.014 A ATOM 31 C LIG 1 -6.666 -1.705 1.990 0.00 0.00 +0.001 A ATOM 32 C LIG 1 -5.300 -1.474 2.080 0.00 0.00 +0.001 A ATOM 33 C LIG 1 -4.617 -0.839 1.034 0.00 0.00 +0.009 A ATOM 34 O LIG 1 -8.612 -0.599 -1.537 0.00 0.00 -0.267 OA ATOM 35 N LIG 1 -4.910 1.077 -3.579 0.00 0.00 -0.237 NA ATOM 36 C LIG 1 -3.646 1.525 -3.571 0.00 0.00 +0.115 A ATOM 37 C LIG 1 -5.276 -0.394 -0.128 0.00 0.00 -0.000 A ATOM 38 C LIG 1 -2.822 1.437 -2.470 0.00 0.00 +0.043 A ENDBRANCH 21 23 ENDBRANCH 4 21 TORSDOF 5