REMARK Name = BDB051407 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 O LIG 1 -0.997 1.657 0.074 0.00 0.00 -0.477 OA ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 0.169 0.985 -0.166 0.00 0.00 +0.122 A ATOM 3 C LIG 1 1.047 0.717 0.882 0.00 0.00 +0.049 A ATOM 4 C LIG 1 2.243 0.045 0.623 0.00 0.00 +0.050 A ATOM 5 C LIG 1 2.563 -0.321 -0.688 0.00 0.00 +0.129 A ATOM 6 C LIG 1 1.680 -0.046 -1.734 0.00 0.00 +0.050 A ATOM 7 C LIG 1 0.484 0.624 -1.476 0.00 0.00 +0.049 A BRANCH 5 8 ATOM 8 O LIG 1 3.708 -1.015 -1.007 0.00 0.00 -0.456 OA BRANCH 8 9 ATOM 9 C LIG 1 4.894 -0.559 -0.476 0.00 0.00 +0.128 A ATOM 10 C LIG 1 5.762 -1.517 0.049 0.00 0.00 +0.046 A ATOM 11 C LIG 1 6.994 -1.127 0.573 0.00 0.00 +0.004 A ATOM 12 C LIG 1 7.364 0.218 0.556 0.00 0.00 +0.000 A ATOM 13 C LIG 1 6.506 1.173 0.010 0.00 0.00 +0.004 A ATOM 14 C LIG 1 5.272 0.785 -0.515 0.00 0.00 +0.046 A ENDBRANCH 8 9 ENDBRANCH 5 8 ENDBRANCH 1 2 BRANCH 1 15 ATOM 15 C LIG 1 -2.056 0.750 0.434 0.00 0.00 +0.285 C BRANCH 15 17 ATOM 16 O LIG 1 -1.737 1.457 2.760 0.00 0.00 -0.247 OA ATOM 17 C LIG 1 -2.215 0.665 1.959 0.00 0.00 +0.346 C BRANCH 17 18 ATOM 18 O LIG 1 -2.939 -0.402 2.379 0.00 0.00 -0.478 OA ATOM 19 H LIG 1 -3.304 -0.962 1.664 0.00 0.00 +0.295 HD ENDBRANCH 17 18 ENDBRANCH 15 17 BRANCH 15 20 ATOM 20 C LIG 1 -3.339 1.314 -0.195 0.00 0.00 +0.091 C BRANCH 20 21 ATOM 21 C LIG 1 -4.443 0.290 -0.312 0.00 0.00 -0.043 A ATOM 22 C LIG 1 -5.543 0.329 0.555 0.00 0.00 +0.004 A ATOM 23 C LIG 1 -6.540 -0.643 0.474 0.00 0.00 +0.000 A ATOM 24 C LIG 1 -6.450 -1.658 -0.477 0.00 0.00 +0.000 A ATOM 25 C LIG 1 -5.365 -1.700 -1.350 0.00 0.00 +0.000 A ATOM 26 C LIG 1 -4.366 -0.730 -1.270 0.00 0.00 +0.004 A ENDBRANCH 20 21 ENDBRANCH 15 20 ENDBRANCH 1 15 TORSDOF 8