REMARK Name = BDB026557 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.828 2.490 0.859 0.00 0.00 +0.076 C ATOM 2 C LIG 1 -2.223 3.204 0.886 0.00 0.00 +0.037 C ATOM 3 C LIG 1 -3.240 2.674 -0.160 0.00 0.00 +0.055 C ATOM 4 C LIG 1 -3.501 3.711 -1.264 0.00 0.00 +0.024 C ATOM 5 N LIG 1 -2.838 1.350 -0.651 0.00 0.00 -0.295 NA ATOM 6 C LIG 1 -1.534 1.343 -1.321 0.00 0.00 +0.086 C ATOM 7 C LIG 1 -0.506 2.240 -0.628 0.00 0.00 +0.034 C ENDROOT BRANCH 1 8 ATOM 8 C LIG 1 0.219 3.454 1.437 0.00 0.00 +0.311 C ATOM 9 O LIG 1 -0.023 4.588 1.828 0.00 0.00 -0.250 OA BRANCH 8 10 ATOM 10 O LIG 1 1.480 2.970 1.478 0.00 0.00 -0.480 OA ATOM 11 H LIG 1 1.528 2.012 1.245 0.00 0.00 +0.295 HD ENDBRANCH 8 10 ENDBRANCH 1 8 BRANCH 1 12 ATOM 12 C LIG 1 -0.914 1.222 1.768 0.00 0.00 +0.076 C BRANCH 12 15 ATOM 13 C LIG 1 2.217 -0.588 0.916 0.00 0.00 +0.125 A ATOM 14 N LIG 1 1.330 0.417 1.154 0.00 0.00 -0.234 NA ATOM 15 C LIG 1 0.046 0.089 1.480 0.00 0.00 +0.080 A ATOM 16 C LIG 1 -0.373 -1.230 1.615 0.00 0.00 +0.148 A ATOM 17 F LIG 1 -1.624 -1.514 2.006 0.00 0.00 -0.203 F ATOM 18 C LIG 1 0.521 -2.260 1.354 0.00 0.00 -0.010 A ATOM 19 C LIG 1 0.110 -3.691 1.506 0.00 0.00 +0.047 C ATOM 20 C LIG 1 1.834 -1.923 1.006 0.00 0.00 +0.050 A BRANCH 13 21 ATOM 21 N LIG 1 3.506 -0.166 0.588 0.00 0.00 -0.283 N ATOM 22 H LIG 1 3.540 0.845 0.611 0.00 0.00 +0.155 HD BRANCH 21 28 ATOM 23 C LIG 1 8.201 -1.062 -0.659 0.00 0.00 +0.065 C ATOM 24 C LIG 1 6.771 -1.127 -0.292 0.00 0.00 +0.035 A ATOM 25 N LIG 1 6.096 -2.307 -0.169 0.00 0.00 -0.280 N ATOM 26 H LIG 1 6.451 -3.248 -0.301 0.00 0.00 +0.189 HD ATOM 27 N LIG 1 4.808 -2.158 0.170 0.00 0.00 -0.158 NA ATOM 28 C LIG 1 4.633 -0.838 0.272 0.00 0.00 +0.146 A ATOM 29 C LIG 1 5.841 -0.151 -0.011 0.00 0.00 +0.068 A ENDBRANCH 21 28 ENDBRANCH 13 21 ENDBRANCH 12 15 ENDBRANCH 1 12 BRANCH 5 30 ATOM 30 C LIG 1 -3.877 0.678 -1.449 0.00 0.00 +0.121 C BRANCH 30 31 ATOM 31 C LIG 1 -3.685 -0.827 -1.497 0.00 0.00 -0.014 A ATOM 32 C LIG 1 -3.314 -1.531 -2.660 0.00 0.00 +0.064 A ATOM 33 CL LIG 1 -3.051 -0.683 -4.152 0.00 0.00 -0.082 Cl ATOM 34 C LIG 1 -3.147 -2.927 -2.607 0.00 0.00 +0.060 A ATOM 35 CL LIG 1 -2.688 -3.864 -3.990 0.00 0.00 -0.082 Cl ATOM 36 C LIG 1 -3.346 -3.621 -1.410 0.00 0.00 +0.021 A ATOM 37 C LIG 1 -3.709 -2.932 -0.258 0.00 0.00 +0.002 A ATOM 38 C LIG 1 -3.875 -1.549 -0.302 0.00 0.00 +0.006 A ENDBRANCH 30 31 ENDBRANCH 5 30 TORSDOF 8