REMARK Name = BDB065256 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.321 1.677 -0.526 0.00 0.00 +0.162 A ATOM 2 C LIG 1 2.315 0.688 -0.486 0.00 0.00 +0.164 A ATOM 3 C LIG 1 1.951 -0.644 -0.254 0.00 0.00 +0.078 A ATOM 4 C LIG 1 0.630 -1.021 -0.052 0.00 0.00 +0.081 A ATOM 5 C LIG 1 -0.367 -0.038 -0.069 0.00 0.00 +0.044 A ATOM 6 C LIG 1 -1.682 -0.493 0.159 0.00 0.00 +0.131 A ATOM 7 N LIG 1 -1.961 -1.792 0.345 0.00 0.00 -0.203 NA ATOM 8 C LIG 1 -0.925 -2.641 0.328 0.00 0.00 +0.234 A ATOM 9 N LIG 1 0.364 -2.314 0.148 0.00 0.00 -0.218 NA ATOM 10 C LIG 1 -0.009 1.311 -0.317 0.00 0.00 +0.062 A ENDROOT BRANCH 1 12 ATOM 11 C LIG 1 0.762 3.971 -0.910 0.00 0.00 +0.277 C ATOM 12 O LIG 1 1.748 2.958 -0.768 0.00 0.00 -0.491 OA ENDBRANCH 1 12 BRANCH 8 13 ATOM 13 C LIG 1 -1.223 -4.035 0.526 0.00 0.00 +0.140 C ATOM 14 N LIG 1 -1.466 -5.163 0.684 0.00 0.00 -0.188 NA ENDBRANCH 8 13 BRANCH 6 15 ATOM 15 N LIG 1 -2.738 0.446 0.183 0.00 0.00 -0.326 N ATOM 16 H LIG 1 -2.513 1.133 0.900 0.00 0.00 +0.148 HD BRANCH 15 17 ATOM 17 C LIG 1 -4.102 -0.082 0.377 0.00 0.00 +0.074 C ATOM 18 C LIG 1 -5.022 1.076 0.816 0.00 0.00 +0.037 C ATOM 19 C LIG 1 -6.463 0.924 0.314 0.00 0.00 +0.086 C ATOM 20 N LIG 1 -6.838 -0.486 0.296 0.00 0.00 -0.300 NA ATOM 21 C LIG 1 -6.057 -1.248 -0.692 0.00 0.00 +0.086 C ATOM 22 C LIG 1 -4.644 -0.697 -0.914 0.00 0.00 +0.037 C BRANCH 20 23 ATOM 23 C LIG 1 -8.282 -0.766 0.202 0.00 0.00 +0.050 C ATOM 24 C LIG 1 -8.957 -0.509 1.555 0.00 0.00 +0.024 C ATOM 25 C LIG 1 -9.017 -0.004 -0.907 0.00 0.00 +0.024 C ENDBRANCH 20 23 ENDBRANCH 15 17 ENDBRANCH 6 15 BRANCH 2 26 ATOM 26 O LIG 1 3.602 1.117 -0.691 0.00 0.00 -0.488 OA BRANCH 26 27 ATOM 27 C LIG 1 4.647 0.143 -0.658 0.00 0.00 +0.230 C BRANCH 27 28 ATOM 28 C LIG 1 5.966 0.874 -0.901 0.00 0.00 +0.056 C BRANCH 28 29 ATOM 29 C LIG 1 7.164 -0.075 -1.008 0.00 0.00 +0.088 C BRANCH 29 30 ATOM 30 N LIG 1 7.346 -0.910 0.189 0.00 0.00 -0.296 NA ATOM 31 C LIG 1 7.885 -0.131 1.341 0.00 0.00 +0.160 C ATOM 32 C LIG 1 9.323 -0.592 1.579 0.00 0.00 +0.262 C ATOM 33 F LIG 1 9.396 -1.375 2.682 0.00 0.00 -0.204 F ATOM 34 F LIG 1 10.170 0.442 1.755 0.00 0.00 -0.204 F ATOM 35 C LIG 1 9.683 -1.391 0.354 0.00 0.00 +0.092 C ATOM 36 C LIG 1 8.342 -1.978 -0.039 0.00 0.00 +0.090 C ENDBRANCH 29 30 ENDBRANCH 28 29 ENDBRANCH 27 28 ENDBRANCH 26 27 ENDBRANCH 2 26 TORSDOF 10