REMARK Name = BDB035450 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.320 0.055 0.981 0.00 0.00 -0.263 N ATOM 2 C LIG 1 0.884 -0.196 1.645 0.00 0.00 +0.251 C ATOM 3 O LIG 1 1.113 -0.588 2.775 0.00 0.00 -0.270 OA ATOM 4 C LIG 1 1.966 0.104 0.699 0.00 0.00 +0.043 A ATOM 5 C LIG 1 3.333 0.008 0.894 0.00 0.00 +0.018 A ATOM 6 C LIG 1 4.172 0.351 -0.174 0.00 0.00 -0.032 A ATOM 7 C LIG 1 3.603 0.768 -1.403 0.00 0.00 +0.017 A ATOM 8 C LIG 1 2.210 0.862 -1.583 0.00 0.00 +0.061 A ATOM 9 C LIG 1 1.404 0.519 -0.502 0.00 0.00 -0.006 A ATOM 10 C LIG 1 -0.087 0.508 -0.386 0.00 0.00 +0.150 C ENDROOT BRANCH 1 13 ATOM 11 C LIG 1 -4.097 0.045 1.193 0.00 0.00 -0.032 A ATOM 12 C LIG 1 -2.762 0.182 0.729 0.00 0.00 +0.028 A ATOM 13 C LIG 1 -1.629 -0.094 1.516 0.00 0.00 +0.037 A ATOM 14 C LIG 1 -1.847 -0.517 2.828 0.00 0.00 +0.023 A ATOM 15 C LIG 1 -3.142 -0.657 3.329 0.00 0.00 +0.002 A ATOM 16 C LIG 1 -4.245 -0.381 2.523 0.00 0.00 +0.005 A BRANCH 11 17 ATOM 17 C LIG 1 -5.336 0.362 0.211 0.00 0.00 +0.056 C ATOM 18 C LIG 1 -5.533 1.881 -0.156 0.00 0.00 +0.025 C ATOM 19 C LIG 1 -6.588 1.959 0.974 0.00 0.00 +0.017 C ATOM 20 C LIG 1 -6.798 0.439 0.775 0.00 0.00 +0.025 C BRANCH 17 23 ATOM 21 C LIG 1 -5.551 -2.836 -0.005 0.00 0.00 +0.151 C ATOM 22 N LIG 1 -5.348 -1.934 -1.104 0.00 0.00 -0.320 N ATOM 23 C LIG 1 -5.252 -0.570 -1.065 0.00 0.00 +0.144 A ATOM 24 N LIG 1 -5.028 -0.123 -2.283 0.00 0.00 -0.134 NA ATOM 25 N LIG 1 -4.992 -1.204 -3.131 0.00 0.00 -0.138 NA ATOM 26 C LIG 1 -5.183 -2.283 -2.409 0.00 0.00 +0.224 A ENDBRANCH 17 23 BRANCH 19 27 ATOM 27 C LIG 1 -7.801 2.834 0.723 0.00 0.00 +0.159 C BRANCH 27 28 ATOM 28 O LIG 1 -7.413 4.200 0.788 0.00 0.00 -0.395 OA ATOM 29 H LIG 1 -6.837 4.378 0.025 0.00 0.00 +0.209 HD ENDBRANCH 27 28 ENDBRANCH 19 27 ENDBRANCH 11 17 ENDBRANCH 1 13 BRANCH 8 30 ATOM 30 C LIG 1 1.611 1.294 -2.895 0.00 0.00 +0.418 C ATOM 31 F LIG 1 0.718 2.310 -2.741 0.00 0.00 -0.166 F ATOM 32 F LIG 1 2.526 1.732 -3.800 0.00 0.00 -0.166 F ATOM 33 F LIG 1 0.928 0.286 -3.502 0.00 0.00 -0.166 F ENDBRANCH 8 30 BRANCH 6 34 ATOM 34 C LIG 1 5.678 0.251 -0.032 0.00 0.00 +0.116 C BRANCH 34 35 ATOM 35 N LIG 1 6.171 -0.894 -0.792 0.00 0.00 -0.307 NA ATOM 36 H LIG 1 5.653 -1.721 -0.493 0.00 0.00 +0.123 HD BRANCH 35 37 ATOM 37 C LIG 1 7.628 -1.120 -0.844 0.00 0.00 +0.017 C ATOM 38 C LIG 1 8.430 0.155 -1.184 0.00 0.00 +0.022 C ATOM 39 C LIG 1 8.794 0.301 0.308 0.00 0.00 +0.004 C ATOM 40 C LIG 1 8.278 -1.131 0.556 0.00 0.00 +0.022 C ATOM 41 C LIG 1 7.941 -2.325 -1.718 0.00 0.00 +0.027 C ENDBRANCH 35 37 ENDBRANCH 34 35 ENDBRANCH 6 34 TORSDOF 9