REMARK Name = BDB034205 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.827 -2.829 0.650 0.00 0.00 +0.190 C ATOM 2 C LIG 1 2.266 -2.320 1.001 0.00 0.00 +0.097 C ATOM 3 C LIG 1 2.825 -3.205 2.150 0.00 0.00 +0.022 C ATOM 4 C LIG 1 2.310 -4.647 2.166 0.00 0.00 +0.002 C ATOM 5 C LIG 1 1.973 -5.135 0.770 0.00 0.00 +0.004 C ATOM 6 C LIG 1 0.881 -4.283 0.134 0.00 0.00 +0.046 C ENDROOT BRANCH 2 7 ATOM 7 N LIG 1 2.268 -0.892 1.417 0.00 0.00 -0.295 NA ATOM 8 C LIG 1 2.243 0.016 0.241 0.00 0.00 +0.094 C ATOM 9 C LIG 1 3.765 0.242 0.371 0.00 0.00 +0.047 C ATOM 10 C LIG 1 3.611 -0.375 1.774 0.00 0.00 +0.094 C BRANCH 9 11 ATOM 11 C LIG 1 4.350 1.714 0.223 0.00 0.00 -0.038 A ATOM 12 C LIG 1 5.469 1.978 -0.600 0.00 0.00 +0.050 A ATOM 13 C LIG 1 5.990 3.266 -0.755 0.00 0.00 +0.130 A ATOM 14 C LIG 1 5.377 4.334 -0.103 0.00 0.00 +0.046 A ATOM 15 C LIG 1 4.282 4.114 0.726 0.00 0.00 +0.004 A ATOM 16 C LIG 1 3.784 2.821 0.886 0.00 0.00 +0.004 A BRANCH 13 17 ATOM 17 O LIG 1 7.056 3.606 -1.540 0.00 0.00 -0.406 OA BRANCH 17 18 ATOM 18 C LIG 1 8.022 2.596 -1.770 0.00 0.00 +0.575 C ATOM 19 F LIG 1 7.560 1.675 -2.646 0.00 0.00 -0.133 F ATOM 20 F LIG 1 9.126 3.170 -2.302 0.00 0.00 -0.133 F ATOM 21 F LIG 1 8.386 1.979 -0.622 0.00 0.00 -0.133 F ENDBRANCH 17 18 ENDBRANCH 13 17 ENDBRANCH 9 11 ENDBRANCH 2 7 BRANCH 1 22 ATOM 22 O LIG 1 0.237 -2.037 -0.395 0.00 0.00 -0.487 OA BRANCH 22 29 ATOM 23 N LIG 1 -4.759 1.012 -1.123 0.00 0.00 -0.282 N ATOM 24 C LIG 1 -4.952 -0.045 -0.252 0.00 0.00 +0.248 C ATOM 25 O LIG 1 -5.957 -0.351 0.355 0.00 0.00 -0.270 OA ATOM 26 C LIG 1 -3.671 -0.752 -0.149 0.00 0.00 +0.042 A ATOM 27 C LIG 1 -2.728 -0.048 -0.889 0.00 0.00 -0.015 A ATOM 28 C LIG 1 -1.422 -0.499 -0.956 0.00 0.00 +0.051 A ATOM 29 C LIG 1 -1.073 -1.665 -0.258 0.00 0.00 +0.121 A ATOM 30 C LIG 1 -2.047 -2.373 0.469 0.00 0.00 +0.046 A ATOM 31 C LIG 1 -3.366 -1.911 0.537 0.00 0.00 +0.017 A ATOM 32 C LIG 1 -3.357 1.159 -1.495 0.00 0.00 +0.144 C BRANCH 23 39 ATOM 33 O LIG 1 -9.207 2.325 0.861 0.00 0.00 -0.275 OA ATOM 34 C LIG 1 -8.233 2.280 0.115 0.00 0.00 +0.219 C ATOM 35 N LIG 1 -7.172 3.123 0.312 0.00 0.00 -0.255 N ATOM 36 H LIG 1 -7.243 3.690 1.145 0.00 0.00 +0.158 HD ATOM 37 C LIG 1 -5.901 2.973 -0.180 0.00 0.00 +0.240 C ATOM 38 O LIG 1 -4.951 3.534 0.367 0.00 0.00 -0.273 OA ATOM 39 C LIG 1 -5.726 2.069 -1.401 0.00 0.00 +0.163 C ATOM 40 C LIG 1 -7.048 1.609 -2.014 0.00 0.00 +0.041 C ATOM 41 C LIG 1 -8.131 1.274 -1.004 0.00 0.00 +0.098 C ENDBRANCH 23 39 ENDBRANCH 22 29 ENDBRANCH 1 22 TORSDOF 7