REMARK Name = BDB032182 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.548 0.859 2.179 0.00 0.00 +0.126 A ATOM 2 C LIG 1 -2.457 0.284 1.309 0.00 0.00 +0.024 A ATOM 3 C LIG 1 -3.822 0.746 0.926 0.00 0.00 +0.148 C ATOM 4 N LIG 1 -4.281 -0.316 0.037 0.00 0.00 -0.281 N ATOM 5 C LIG 1 -3.283 -1.242 -0.225 0.00 0.00 +0.248 C ATOM 6 O LIG 1 -3.314 -2.180 -0.998 0.00 0.00 -0.270 OA ATOM 7 C LIG 1 -2.140 -0.884 0.621 0.00 0.00 +0.045 A ATOM 8 C LIG 1 -0.927 -1.531 0.758 0.00 0.00 +0.020 A ATOM 9 C LIG 1 0.006 -0.975 1.643 0.00 0.00 -0.006 A ATOM 10 C LIG 1 -0.310 0.221 2.340 0.00 0.00 +0.053 A ENDROOT BRANCH 4 11 ATOM 11 C LIG 1 -5.467 -0.202 -0.803 0.00 0.00 +0.163 C ATOM 12 C LIG 1 -5.287 0.835 -1.925 0.00 0.00 +0.240 C ATOM 13 O LIG 1 -4.214 1.348 -2.236 0.00 0.00 -0.273 OA ATOM 14 N LIG 1 -6.440 1.183 -2.592 0.00 0.00 -0.255 N ATOM 15 H LIG 1 -6.316 1.878 -3.317 0.00 0.00 +0.158 HD ATOM 16 C LIG 1 -7.713 1.104 -2.087 0.00 0.00 +0.219 C ATOM 17 O LIG 1 -8.629 1.763 -2.571 0.00 0.00 -0.275 OA ATOM 18 C LIG 1 -7.924 0.155 -0.931 0.00 0.00 +0.098 C ATOM 19 C LIG 1 -6.719 0.144 -0.003 0.00 0.00 +0.041 C ENDBRANCH 4 11 BRANCH 1 21 ATOM 20 C LIG 1 -1.026 2.628 3.675 0.00 0.00 +0.277 C ATOM 21 O LIG 1 -1.955 2.004 2.796 0.00 0.00 -0.495 OA ENDBRANCH 1 21 BRANCH 9 22 ATOM 22 C LIG 1 1.360 -1.617 1.818 0.00 0.00 +0.269 C BRANCH 22 23 ATOM 23 O LIG 1 2.244 -1.021 0.867 0.00 0.00 -0.445 OA BRANCH 23 24 ATOM 24 C LIG 1 3.525 -1.464 0.958 0.00 0.00 +0.405 C ATOM 25 N LIG 1 4.256 -0.836 -0.010 0.00 0.00 -0.251 N ATOM 26 H LIG 1 3.706 -0.205 -0.577 0.00 0.00 +0.158 HD ATOM 27 O LIG 1 3.905 -2.277 1.785 0.00 0.00 -0.226 OA BRANCH 25 28 ATOM 28 C LIG 1 5.624 -0.976 -0.304 0.00 0.00 +0.040 A ATOM 29 C LIG 1 6.138 -0.198 -1.354 0.00 0.00 +0.069 A ATOM 30 C LIG 1 7.489 -0.281 -1.707 0.00 0.00 +0.129 A ATOM 31 C LIG 1 8.322 -1.167 -1.023 0.00 0.00 +0.046 A ATOM 32 C LIG 1 7.821 -1.940 0.022 0.00 0.00 +0.005 A ATOM 33 C LIG 1 6.476 -1.841 0.384 0.00 0.00 +0.023 A BRANCH 30 34 ATOM 34 O LIG 1 8.099 0.419 -2.711 0.00 0.00 -0.434 OA BRANCH 34 35 ATOM 35 C LIG 1 7.459 1.615 -3.120 0.00 0.00 +0.541 C ATOM 36 F LIG 1 6.379 1.307 -3.880 0.00 0.00 -0.166 F ATOM 37 F LIG 1 8.323 2.282 -3.927 0.00 0.00 -0.166 F ENDBRANCH 34 35 ENDBRANCH 30 34 ENDBRANCH 25 28 ENDBRANCH 23 24 ENDBRANCH 22 23 ENDBRANCH 9 22 TORSDOF 8