REMARK Name = BDB004024 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.608 -0.783 0.270 0.00 0.00 +0.221 A ATOM 2 N LIG 1 -0.693 -0.438 0.286 0.00 0.00 -0.196 NA ATOM 3 C LIG 1 -1.575 -1.258 0.897 0.00 0.00 +0.164 A ATOM 4 C LIG 1 -1.157 -2.438 1.486 0.00 0.00 +0.181 A ATOM 5 F LIG 1 -2.009 -3.266 2.105 0.00 0.00 -0.200 F ATOM 6 C LIG 1 0.182 -2.719 1.424 0.00 0.00 +0.156 A ATOM 7 N LIG 1 1.077 -1.910 0.826 0.00 0.00 -0.220 NA ENDROOT BRANCH 1 8 ATOM 8 N LIG 1 1.441 0.130 -0.369 0.00 0.00 -0.284 N ATOM 9 H LIG 1 0.884 0.909 -0.687 0.00 0.00 +0.155 HD BRANCH 8 13 ATOM 10 C LIG 1 5.582 0.434 -1.183 0.00 0.00 +0.059 A ATOM 11 C LIG 1 5.091 -0.689 -0.512 0.00 0.00 +0.017 A ATOM 12 C LIG 1 3.722 -0.805 -0.234 0.00 0.00 +0.024 A ATOM 13 C LIG 1 2.816 0.189 -0.615 0.00 0.00 +0.034 A ATOM 14 C LIG 1 3.327 1.311 -1.291 0.00 0.00 +0.024 A ATOM 15 C LIG 1 4.693 1.437 -1.573 0.00 0.00 +0.017 A BRANCH 10 17 ATOM 16 O LIG 1 7.869 -0.317 -1.147 0.00 0.00 -0.245 OA ATOM 17 C LIG 1 7.036 0.515 -1.456 0.00 0.00 +0.337 C BRANCH 17 18 ATOM 18 O LIG 1 7.383 1.640 -2.106 0.00 0.00 -0.477 OA ATOM 19 H LIG 1 8.354 1.556 -2.215 0.00 0.00 +0.295 HD ENDBRANCH 17 18 ENDBRANCH 10 17 ENDBRANCH 8 13 ENDBRANCH 1 8 BRANCH 3 20 ATOM 20 N LIG 1 -2.960 -0.954 0.922 0.00 0.00 -0.296 N ATOM 21 H LIG 1 -3.348 -1.180 1.844 0.00 0.00 +0.154 HD BRANCH 20 22 ATOM 22 C LIG 1 -3.649 0.136 0.335 0.00 0.00 +0.047 A ATOM 23 C LIG 1 -4.809 0.690 0.927 0.00 0.00 +0.080 A ATOM 24 C LIG 1 -5.496 1.740 0.288 0.00 0.00 +0.017 A ATOM 25 C LIG 1 -5.055 2.241 -0.935 0.00 0.00 +0.001 A ATOM 26 C LIG 1 -3.931 1.690 -1.536 0.00 0.00 +0.002 A ATOM 27 C LIG 1 -3.243 0.646 -0.911 0.00 0.00 +0.024 A BRANCH 23 28 ATOM 28 C LIG 1 -5.385 0.245 2.227 0.00 0.00 +0.339 C ATOM 29 O LIG 1 -6.415 0.660 2.727 0.00 0.00 -0.245 OA BRANCH 28 30 ATOM 30 O LIG 1 -4.653 -0.689 2.869 0.00 0.00 -0.477 OA ATOM 31 H LIG 1 -5.176 -0.847 3.686 0.00 0.00 +0.295 HD ENDBRANCH 28 30 ENDBRANCH 23 28 ENDBRANCH 20 22 ENDBRANCH 3 20 TORSDOF 8