REMARK Name = BDB018985 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 4.221 0.121 0.917 0.00 0.00 -0.006 A ATOM 2 C LIG 1 3.033 0.772 1.274 0.00 0.00 +0.027 A ATOM 3 C LIG 1 1.821 0.343 0.694 0.00 0.00 +0.033 A ATOM 4 C LIG 1 1.752 -0.714 -0.232 0.00 0.00 +0.038 A ATOM 5 N LIG 1 0.518 -1.121 -0.795 0.00 0.00 -0.300 N ATOM 6 C LIG 1 0.599 -1.937 -2.019 0.00 0.00 +0.111 C ATOM 7 C LIG 1 1.623 -3.048 -1.841 0.00 0.00 +0.024 C ATOM 8 C LIG 1 2.997 -2.442 -1.617 0.00 0.00 +0.038 C ATOM 9 C LIG 1 2.961 -1.340 -0.590 0.00 0.00 -0.025 A ATOM 10 C LIG 1 4.176 -0.918 -0.022 0.00 0.00 +0.014 A ENDROOT BRANCH 5 11 ATOM 11 C LIG 1 -0.786 -0.779 -0.370 0.00 0.00 +0.037 A ATOM 12 C LIG 1 -1.142 -0.891 0.983 0.00 0.00 +0.051 A ATOM 13 C LIG 1 -2.427 -0.545 1.357 0.00 0.00 +0.072 A ATOM 14 N LIG 1 -3.007 -0.567 2.632 0.00 0.00 -0.295 N ATOM 15 C LIG 1 -4.338 -0.123 2.539 0.00 0.00 +0.330 A ATOM 16 N LIG 1 -4.565 0.162 1.173 0.00 0.00 -0.294 N ATOM 17 C LIG 1 -5.801 0.669 0.659 0.00 0.00 +0.154 C ATOM 18 O LIG 1 -5.138 -0.004 3.453 0.00 0.00 -0.246 OA ATOM 19 C LIG 1 -2.337 -0.949 3.842 0.00 0.00 +0.154 C ATOM 20 C LIG 1 -3.386 -0.094 0.443 0.00 0.00 +0.077 A ATOM 21 C LIG 1 -3.075 0.022 -0.904 0.00 0.00 +0.005 A ATOM 22 C LIG 1 -1.762 -0.323 -1.291 0.00 0.00 +0.033 A BRANCH 21 23 ATOM 23 C LIG 1 -3.997 0.484 -1.949 0.00 0.00 -0.040 C ATOM 24 C LIG 1 -4.758 -0.587 -2.688 0.00 0.00 +0.047 C ATOM 25 C LIG 1 -5.940 -0.058 -3.489 0.00 0.00 +0.095 C ATOM 26 S LIG 1 -5.438 1.268 -4.620 0.00 0.00 -0.039 S ATOM 27 O LIG 1 -4.107 0.751 -5.466 0.00 0.00 -0.162 OA ATOM 28 C LIG 1 -4.897 2.416 -3.317 0.00 0.00 +0.117 C ATOM 29 C LIG 1 -4.072 1.797 -2.231 0.00 0.00 -0.011 C ENDBRANCH 21 23 ENDBRANCH 5 11 BRANCH 1 34 ATOM 30 C LIG 1 8.901 1.683 1.330 0.00 0.00 +0.172 C ATOM 31 N LIG 1 7.577 1.193 1.624 0.00 0.00 -0.274 N ATOM 32 N LIG 1 7.235 0.933 2.899 0.00 0.00 -0.179 NA ATOM 33 C LIG 1 5.976 0.497 2.807 0.00 0.00 +0.142 A ATOM 34 C LIG 1 5.504 0.495 1.476 0.00 0.00 +0.020 A ATOM 35 C LIG 1 6.573 0.950 0.732 0.00 0.00 +0.116 A ENDBRANCH 1 34 BRANCH 2 36 ATOM 36 C LIG 1 3.008 1.911 2.262 0.00 0.00 +0.372 C ATOM 37 F LIG 1 3.153 1.482 3.548 0.00 0.00 -0.204 F ATOM 38 F LIG 1 1.836 2.613 2.247 0.00 0.00 -0.204 F ENDBRANCH 2 36 TORSDOF 4