REMARK Name = BDB035633 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -1.165 -1.431 0.381 0.00 0.00 -0.263 N ATOM 2 C LIG 1 -0.435 -0.639 -0.513 0.00 0.00 +0.251 C ATOM 3 O LIG 1 -0.796 0.151 -1.364 0.00 0.00 -0.270 OA ATOM 4 C LIG 1 0.986 -0.928 -0.280 0.00 0.00 +0.043 A ATOM 5 C LIG 1 2.093 -0.386 -0.906 0.00 0.00 +0.018 A ATOM 6 C LIG 1 3.360 -0.837 -0.510 0.00 0.00 -0.032 A ATOM 7 C LIG 1 3.467 -1.807 0.516 0.00 0.00 +0.017 A ATOM 8 C LIG 1 2.329 -2.348 1.145 0.00 0.00 +0.061 A ATOM 9 C LIG 1 1.085 -1.886 0.721 0.00 0.00 -0.006 A ATOM 10 C LIG 1 -0.283 -2.263 1.188 0.00 0.00 +0.150 C ENDROOT BRANCH 1 13 ATOM 11 C LIG 1 -4.831 -0.647 -0.091 0.00 0.00 -0.032 A ATOM 12 C LIG 1 -3.423 -0.615 -0.208 0.00 0.00 +0.028 A ATOM 13 C LIG 1 -2.580 -1.470 0.520 0.00 0.00 +0.037 A ATOM 14 C LIG 1 -3.183 -2.375 1.405 0.00 0.00 +0.023 A ATOM 15 C LIG 1 -4.571 -2.433 1.543 0.00 0.00 +0.002 A ATOM 16 C LIG 1 -5.382 -1.580 0.799 0.00 0.00 +0.005 A BRANCH 11 17 ATOM 17 C LIG 1 -5.700 0.303 -0.899 0.00 0.00 +0.056 C ATOM 18 C LIG 1 -5.739 0.117 -2.408 0.00 0.00 +0.020 C ATOM 19 C LIG 1 -6.952 -0.204 -1.594 0.00 0.00 +0.020 C BRANCH 17 22 ATOM 20 C LIG 1 -6.898 1.458 1.835 0.00 0.00 +0.151 C ATOM 21 N LIG 1 -6.258 2.233 0.810 0.00 0.00 -0.320 N ATOM 22 C LIG 1 -5.731 1.785 -0.368 0.00 0.00 +0.144 A ATOM 23 N LIG 1 -5.252 2.814 -1.037 0.00 0.00 -0.134 NA ATOM 24 N LIG 1 -5.465 3.947 -0.284 0.00 0.00 -0.138 NA ATOM 25 C LIG 1 -6.066 3.579 0.823 0.00 0.00 +0.224 A ENDBRANCH 17 22 ENDBRANCH 11 17 ENDBRANCH 1 13 BRANCH 8 26 ATOM 26 C LIG 1 2.440 -3.381 2.233 0.00 0.00 +0.418 C ATOM 27 F LIG 1 3.720 -3.732 2.529 0.00 0.00 -0.166 F ATOM 28 F LIG 1 1.794 -4.536 1.913 0.00 0.00 -0.166 F ATOM 29 F LIG 1 1.883 -2.959 3.402 0.00 0.00 -0.166 F ENDBRANCH 8 26 BRANCH 6 30 ATOM 30 C LIG 1 4.604 -0.257 -1.150 0.00 0.00 +0.116 C BRANCH 30 31 ATOM 31 N LIG 1 4.952 1.015 -0.518 0.00 0.00 -0.307 NA ATOM 32 H LIG 1 4.931 0.894 0.494 0.00 0.00 +0.123 HD BRANCH 31 33 ATOM 33 C LIG 1 6.212 1.571 -1.036 0.00 0.00 +0.017 C ATOM 34 C LIG 1 7.422 0.794 -0.445 0.00 0.00 +0.022 C ATOM 35 C LIG 1 8.045 2.159 -0.085 0.00 0.00 +0.004 C ATOM 36 C LIG 1 6.617 2.746 -0.094 0.00 0.00 +0.022 C ATOM 37 C LIG 1 6.205 1.909 -2.516 0.00 0.00 +0.027 C ENDBRANCH 31 33 ENDBRANCH 30 31 ENDBRANCH 6 30 TORSDOF 7