REMARK Name = BDB035685 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -3.328 -2.114 -0.938 0.00 0.00 +0.065 A ATOM 2 C LIG 1 -1.948 -1.846 -0.896 0.00 0.00 +0.165 A ATOM 3 F LIG 1 -1.130 -2.897 -1.065 0.00 0.00 -0.202 F ATOM 4 C LIG 1 -1.448 -0.546 -0.760 0.00 0.00 +0.074 A ATOM 5 C LIG 1 -2.388 0.499 -0.739 0.00 0.00 +0.031 A ATOM 6 C LIG 1 -3.791 0.297 -0.799 0.00 0.00 -0.030 A ATOM 7 C LIG 1 -4.223 -1.040 -0.887 0.00 0.00 +0.030 A ENDROOT BRANCH 4 8 ATOM 8 N LIG 1 -0.058 -0.255 -0.658 0.00 0.00 -0.260 N ATOM 9 C LIG 1 0.947 -1.143 -0.265 0.00 0.00 +0.252 C ATOM 10 O LIG 1 0.898 -2.282 0.157 0.00 0.00 -0.270 OA ATOM 11 C LIG 1 2.220 -0.421 -0.382 0.00 0.00 +0.043 A ATOM 12 C LIG 1 3.499 -0.889 -0.141 0.00 0.00 +0.018 A ATOM 13 C LIG 1 4.568 -0.001 -0.322 0.00 0.00 -0.032 A ATOM 14 C LIG 1 4.306 1.327 -0.739 0.00 0.00 +0.017 A ATOM 15 C LIG 1 2.996 1.790 -0.974 0.00 0.00 +0.061 A ATOM 16 C LIG 1 1.957 0.883 -0.783 0.00 0.00 -0.006 A ATOM 17 C LIG 1 0.480 1.074 -0.919 0.00 0.00 +0.150 C BRANCH 15 18 ATOM 18 C LIG 1 2.721 3.207 -1.398 0.00 0.00 +0.418 C ATOM 19 F LIG 1 1.989 3.887 -0.475 0.00 0.00 -0.166 F ATOM 20 F LIG 1 2.004 3.265 -2.554 0.00 0.00 -0.166 F ATOM 21 F LIG 1 3.841 3.946 -1.614 0.00 0.00 -0.166 F ENDBRANCH 15 18 BRANCH 13 22 ATOM 22 C LIG 1 5.990 -0.456 -0.068 0.00 0.00 +0.116 C BRANCH 22 23 ATOM 23 N LIG 1 6.591 0.310 1.027 0.00 0.00 -0.307 NA ATOM 24 H LIG 1 5.920 0.335 1.797 0.00 0.00 +0.123 HD BRANCH 23 25 ATOM 25 C LIG 1 7.909 -0.221 1.415 0.00 0.00 +0.017 C ATOM 26 C LIG 1 7.729 -1.491 2.294 0.00 0.00 +0.022 C ATOM 27 C LIG 1 8.716 -0.862 3.296 0.00 0.00 +0.004 C ATOM 28 C LIG 1 8.333 0.517 2.718 0.00 0.00 +0.022 C ATOM 29 C LIG 1 8.953 -0.233 0.312 0.00 0.00 +0.027 C ENDBRANCH 23 25 ENDBRANCH 22 23 ENDBRANCH 13 22 ENDBRANCH 4 8 BRANCH 6 30 ATOM 30 C LIG 1 -4.799 1.557 -0.747 0.00 0.00 +0.056 C ATOM 31 C LIG 1 -4.650 2.605 -1.913 0.00 0.00 +0.022 C ATOM 32 C LIG 1 -5.908 2.013 -2.581 0.00 0.00 -0.012 C ATOM 33 C LIG 1 -5.676 1.041 -3.726 0.00 0.00 +0.007 C ATOM 34 C LIG 1 -6.286 1.402 -1.214 0.00 0.00 +0.022 C BRANCH 30 35 ATOM 35 C LIG 1 -4.690 2.231 0.684 0.00 0.00 +0.144 A ATOM 36 N LIG 1 -5.118 1.725 1.881 0.00 0.00 -0.320 N ATOM 37 C LIG 1 -5.786 0.477 2.125 0.00 0.00 +0.151 C ATOM 38 C LIG 1 -4.749 2.634 2.825 0.00 0.00 +0.224 A ATOM 39 N LIG 1 -4.136 3.640 2.249 0.00 0.00 -0.138 NA ATOM 40 N LIG 1 -4.087 3.381 0.901 0.00 0.00 -0.134 NA ENDBRANCH 30 35 ENDBRANCH 6 30 BRANCH 1 41 ATOM 41 N LIG 1 -3.782 -3.446 -1.095 0.00 0.00 -0.342 N ATOM 42 H LIG 1 -2.955 -4.050 -1.144 0.00 0.00 +0.146 HD BRANCH 41 44 ATOM 43 C LIG 1 -5.023 -5.374 -0.276 0.00 0.00 +0.024 C ATOM 44 C LIG 1 -4.694 -3.906 -0.048 0.00 0.00 +0.098 C ENDBRANCH 41 44 ENDBRANCH 1 41 TORSDOF 9