REMARK Name = BDB018993 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.026 -0.313 -1.462 0.00 0.00 -0.300 N ATOM 2 C LIG 1 1.283 -0.270 -0.921 0.00 0.00 +0.038 A ATOM 3 C LIG 1 2.378 -0.873 -1.562 0.00 0.00 -0.025 A ATOM 4 C LIG 1 3.656 -0.822 -0.979 0.00 0.00 +0.014 A ATOM 5 C LIG 1 3.888 -0.134 0.222 0.00 0.00 -0.006 A ATOM 6 C LIG 1 2.820 0.521 0.851 0.00 0.00 +0.027 A ATOM 7 C LIG 1 2.204 -1.603 -2.866 0.00 0.00 +0.038 C ATOM 8 C LIG 1 0.961 -1.115 -3.589 0.00 0.00 +0.024 C ATOM 9 C LIG 1 1.540 0.451 0.261 0.00 0.00 +0.033 A ATOM 10 C LIG 1 -0.226 -1.182 -2.641 0.00 0.00 +0.111 C ENDROOT BRANCH 1 16 ATOM 11 C LIG 1 -4.742 1.338 -0.700 0.00 0.00 +0.062 A ATOM 12 C LIG 1 -3.508 0.637 -0.468 0.00 0.00 +0.017 A ATOM 13 C LIG 1 -3.618 -0.059 0.742 0.00 0.00 +0.092 A ATOM 14 C LIG 1 -2.570 -0.850 1.259 0.00 0.00 +0.146 A ATOM 15 C LIG 1 -1.390 -0.920 0.502 0.00 0.00 +0.071 A ATOM 16 C LIG 1 -1.234 -0.230 -0.707 0.00 0.00 +0.038 A ATOM 17 N LIG 1 -4.883 0.206 1.228 0.00 0.00 -0.346 N ATOM 18 C LIG 1 -5.436 -0.320 2.457 0.00 0.00 +0.149 C ATOM 19 C LIG 1 -2.298 0.545 -1.189 0.00 0.00 +0.034 A ATOM 20 C LIG 1 -5.562 1.037 0.375 0.00 0.00 +0.099 A BRANCH 11 24 ATOM 21 C LIG 1 -6.553 3.940 -2.699 0.00 0.00 +0.128 C ATOM 22 N LIG 1 -6.191 2.971 -1.699 0.00 0.00 -0.314 N ATOM 23 H LIG 1 -6.571 3.075 -0.770 0.00 0.00 +0.149 HD ATOM 24 C LIG 1 -5.070 2.179 -1.853 0.00 0.00 +0.246 C ATOM 25 O LIG 1 -4.390 2.197 -2.875 0.00 0.00 -0.270 OA ENDBRANCH 11 24 BRANCH 14 26 ATOM 26 O LIG 1 -2.777 -1.496 2.448 0.00 0.00 -0.493 OA ATOM 27 C LIG 1 -1.689 -2.237 2.986 0.00 0.00 +0.277 C ENDBRANCH 14 26 ENDBRANCH 1 16 BRANCH 5 28 ATOM 28 C LIG 1 5.237 -0.116 0.749 0.00 0.00 +0.020 A ATOM 29 C LIG 1 5.936 -1.244 1.126 0.00 0.00 +0.116 A ATOM 30 N LIG 1 7.155 -0.806 1.554 0.00 0.00 -0.274 N ATOM 31 C LIG 1 8.235 -1.611 2.069 0.00 0.00 +0.172 C ATOM 32 N LIG 1 7.314 0.527 1.455 0.00 0.00 -0.179 NA ATOM 33 C LIG 1 6.138 0.947 0.976 0.00 0.00 +0.142 A ENDBRANCH 5 28 BRANCH 6 34 ATOM 34 C LIG 1 2.982 1.295 2.134 0.00 0.00 +0.372 C ATOM 35 F LIG 1 3.562 0.571 3.132 0.00 0.00 -0.204 F ATOM 36 F LIG 1 3.736 2.420 1.984 0.00 0.00 -0.204 F ENDBRANCH 6 34 TORSDOF 5