REMARK Name = BDB035763 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.085 -0.977 -0.064 0.00 0.00 -0.263 N ATOM 2 C LIG 1 -1.275 -1.681 0.160 0.00 0.00 +0.251 C ATOM 3 O LIG 1 -1.604 -2.817 -0.122 0.00 0.00 -0.270 OA ATOM 4 C LIG 1 -2.183 -0.768 0.874 0.00 0.00 +0.043 A ATOM 5 C LIG 1 -3.469 -1.006 1.323 0.00 0.00 +0.018 A ATOM 6 C LIG 1 -4.136 0.031 1.985 0.00 0.00 -0.032 A ATOM 7 C LIG 1 -3.481 1.275 2.171 0.00 0.00 +0.017 A ATOM 8 C LIG 1 -2.171 1.501 1.707 0.00 0.00 +0.061 A ATOM 9 C LIG 1 -1.536 0.447 1.057 0.00 0.00 -0.006 A ATOM 10 C LIG 1 -0.165 0.377 0.464 0.00 0.00 +0.150 C ENDROOT BRANCH 1 13 ATOM 11 C LIG 1 3.394 -1.072 -1.537 0.00 0.00 -0.032 A ATOM 12 C LIG 1 2.214 -0.650 -0.877 0.00 0.00 +0.028 A ATOM 13 C LIG 1 1.073 -1.465 -0.731 0.00 0.00 +0.037 A ATOM 14 C LIG 1 1.126 -2.753 -1.266 0.00 0.00 +0.023 A ATOM 15 C LIG 1 2.267 -3.209 -1.927 0.00 0.00 +0.002 A ATOM 16 C LIG 1 3.378 -2.379 -2.058 0.00 0.00 +0.005 A BRANCH 11 19 ATOM 17 C LIG 1 5.511 1.625 -2.668 0.00 0.00 +0.120 C ATOM 18 C LIG 1 5.059 0.240 -3.176 0.00 0.00 +0.051 C ATOM 19 C LIG 1 4.691 -0.140 -1.700 0.00 0.00 +0.060 C ATOM 20 C LIG 1 4.576 1.401 -1.457 0.00 0.00 +0.051 C BRANCH 19 21 ATOM 21 C LIG 1 5.918 -0.762 -0.900 0.00 0.00 +0.144 A ATOM 22 N LIG 1 5.985 -1.072 0.431 0.00 0.00 -0.320 N ATOM 23 C LIG 1 4.966 -0.928 1.431 0.00 0.00 +0.151 C ATOM 24 C LIG 1 7.238 -1.559 0.642 0.00 0.00 +0.224 A ATOM 25 N LIG 1 7.905 -1.551 -0.486 0.00 0.00 -0.138 NA ATOM 26 N LIG 1 7.075 -1.052 -1.458 0.00 0.00 -0.134 NA ENDBRANCH 19 21 BRANCH 17 28 ATOM 27 C LIG 1 5.994 2.950 -4.636 0.00 0.00 +0.194 C ATOM 28 O LIG 1 5.170 2.757 -3.495 0.00 0.00 -0.380 OA ENDBRANCH 17 28 ENDBRANCH 11 19 ENDBRANCH 1 13 BRANCH 8 29 ATOM 29 C LIG 1 -1.478 2.823 1.898 0.00 0.00 +0.418 C ATOM 30 F LIG 1 -2.202 3.734 2.597 0.00 0.00 -0.166 F ATOM 31 F LIG 1 -1.161 3.414 0.714 0.00 0.00 -0.166 F ATOM 32 F LIG 1 -0.299 2.688 2.565 0.00 0.00 -0.166 F ENDBRANCH 8 29 BRANCH 6 33 ATOM 33 C LIG 1 -5.541 -0.173 2.515 0.00 0.00 +0.119 C BRANCH 33 34 ATOM 34 N LIG 1 -6.501 0.791 1.958 0.00 0.00 -0.294 NA ATOM 35 C LIG 1 -7.773 0.784 2.715 0.00 0.00 +0.113 C ATOM 36 C LIG 1 -8.649 -0.453 2.456 0.00 0.00 +0.175 C ATOM 37 O LIG 1 -8.931 -0.607 1.061 0.00 0.00 -0.377 OA ATOM 38 C LIG 1 -7.720 -0.695 0.298 0.00 0.00 +0.175 C ATOM 39 C LIG 1 -6.817 0.530 0.531 0.00 0.00 +0.113 C ENDBRANCH 33 34 ENDBRANCH 6 33 TORSDOF 7