REMARK Name = BDB011033 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 1.088 -0.077 -2.291 0.00 0.00 -0.251 N ATOM 2 C LIG 1 0.256 -0.284 -1.193 0.00 0.00 +0.267 A ATOM 3 O LIG 1 0.602 -0.324 -0.012 0.00 0.00 -0.267 OA ATOM 4 C LIG 1 -1.193 -0.404 -1.477 0.00 0.00 +0.066 A ATOM 5 C LIG 1 -1.634 -0.189 -2.784 0.00 0.00 +0.090 A ATOM 6 C LIG 1 -3.004 -0.286 -3.068 0.00 0.00 +0.081 A ATOM 7 C LIG 1 -3.904 -0.598 -2.030 0.00 0.00 +0.019 A ATOM 8 C LIG 1 -3.460 -0.812 -0.717 0.00 0.00 -0.032 A ATOM 9 N LIG 1 -0.735 0.126 -3.805 0.00 0.00 -0.236 NA ATOM 10 C LIG 1 -2.093 -0.713 -0.448 0.00 0.00 +0.020 A ATOM 11 C LIG 1 0.529 0.164 -3.529 0.00 0.00 +0.209 A ENDROOT BRANCH 1 14 ATOM 12 C LIG 1 4.596 -0.373 -0.914 0.00 0.00 -0.029 A ATOM 13 C LIG 1 3.198 -0.500 -1.057 0.00 0.00 +0.051 A ATOM 14 C LIG 1 2.514 0.002 -2.168 0.00 0.00 +0.142 A ATOM 15 N LIG 1 3.202 0.577 -3.182 0.00 0.00 -0.237 NA ATOM 16 C LIG 1 4.539 0.704 -3.066 0.00 0.00 +0.113 A ATOM 17 C LIG 1 5.258 0.265 -1.971 0.00 0.00 +0.024 A BRANCH 12 21 ATOM 18 C LIG 1 6.441 -4.146 1.263 0.00 0.00 +0.007 C ATOM 19 C LIG 1 6.255 -2.645 1.347 0.00 0.00 -0.012 C ATOM 20 C LIG 1 6.621 -1.833 0.084 0.00 0.00 +0.022 C ATOM 21 C LIG 1 5.386 -0.899 0.375 0.00 0.00 +0.056 C ATOM 22 C LIG 1 4.811 -2.118 1.179 0.00 0.00 +0.022 C BRANCH 21 23 ATOM 23 C LIG 1 5.749 0.333 1.312 0.00 0.00 +0.144 A ATOM 24 N LIG 1 4.890 1.170 1.973 0.00 0.00 -0.320 N ATOM 25 C LIG 1 3.453 1.151 1.990 0.00 0.00 +0.151 C ATOM 26 C LIG 1 5.675 2.075 2.621 0.00 0.00 +0.224 A ATOM 27 N LIG 1 6.937 1.818 2.376 0.00 0.00 -0.138 NA ATOM 28 N LIG 1 6.985 0.724 1.546 0.00 0.00 -0.134 NA ENDBRANCH 21 23 ENDBRANCH 12 21 ENDBRANCH 1 14 BRANCH 6 29 ATOM 29 C LIG 1 -3.511 -0.055 -4.468 0.00 0.00 +0.419 C ATOM 30 F LIG 1 -2.994 -0.925 -5.381 0.00 0.00 -0.166 F ATOM 31 F LIG 1 -4.867 -0.206 -4.569 0.00 0.00 -0.166 F ATOM 32 F LIG 1 -3.260 1.199 -4.937 0.00 0.00 -0.166 F ENDBRANCH 6 29 BRANCH 8 33 ATOM 33 C LIG 1 -4.449 -1.140 0.384 0.00 0.00 +0.119 C BRANCH 33 34 ATOM 34 N LIG 1 -5.431 -0.070 0.601 0.00 0.00 -0.298 NA ATOM 35 C LIG 1 -4.809 1.165 1.117 0.00 0.00 +0.088 C ATOM 36 C LIG 1 -5.747 2.031 1.985 0.00 0.00 +0.000 C ATOM 37 C LIG 1 -5.250 3.473 2.054 0.00 0.00 +0.009 C ATOM 38 C LIG 1 -7.180 1.959 1.462 0.00 0.00 +0.006 C ATOM 39 C LIG 1 -7.674 0.510 1.422 0.00 0.00 +0.016 C ATOM 40 C LIG 1 -6.540 -0.521 1.441 0.00 0.00 +0.085 C ENDBRANCH 33 34 ENDBRANCH 8 33 TORSDOF 6