REMARK Name = BDB011536 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.848 -0.995 0.380 0.00 0.00 +0.197 C ATOM 2 C LIG 1 0.955 -0.824 -0.838 0.00 0.00 +0.244 C ATOM 3 O LIG 1 1.306 -0.039 -1.732 0.00 0.00 -0.273 OA ATOM 4 N LIG 1 -0.235 -1.544 -0.895 0.00 0.00 -0.261 N ATOM 5 C LIG 1 -0.727 -2.470 0.109 0.00 0.00 +0.079 A ATOM 6 C LIG 1 -0.388 -2.477 1.479 0.00 0.00 +0.142 A ATOM 7 C LIG 1 -0.940 -3.446 2.344 0.00 0.00 +0.047 A ATOM 8 C LIG 1 -1.835 -4.408 1.895 0.00 0.00 +0.004 A ATOM 9 C LIG 1 -2.188 -4.418 0.560 0.00 0.00 +0.002 A ATOM 10 O LIG 1 0.417 -1.637 2.197 0.00 0.00 -0.488 OA ATOM 11 C LIG 1 -1.641 -3.469 -0.311 0.00 0.00 +0.027 A ATOM 12 C LIG 1 1.002 -0.527 1.544 0.00 0.00 +0.261 C ENDROOT BRANCH 1 14 ATOM 13 C LIG 1 4.212 -0.726 -0.288 0.00 0.00 +0.230 C ATOM 14 N LIG 1 3.040 -0.153 0.193 0.00 0.00 -0.300 N ATOM 15 H LIG 1 2.836 0.759 -0.203 0.00 0.00 +0.150 HD ATOM 16 O LIG 1 4.378 -1.938 -0.372 0.00 0.00 -0.274 OA BRANCH 13 18 ATOM 17 C LIG 1 6.525 -0.353 -1.237 0.00 0.00 +0.034 C ATOM 18 C LIG 1 5.262 0.329 -0.719 0.00 0.00 +0.138 C BRANCH 18 19 ATOM 19 N LIG 1 5.549 1.204 0.445 0.00 0.00 -0.299 NA ATOM 20 H LIG 1 4.689 1.311 0.984 0.00 0.00 +0.123 HD BRANCH 19 21 ATOM 21 C LIG 1 6.139 2.480 0.005 0.00 0.00 +0.106 C ATOM 22 C LIG 1 6.197 3.463 1.187 0.00 0.00 +0.180 C ATOM 23 O LIG 1 7.622 3.660 0.988 0.00 0.00 -0.377 OA ATOM 24 C LIG 1 7.668 2.465 0.160 0.00 0.00 +0.180 C ENDBRANCH 19 21 ENDBRANCH 18 19 ENDBRANCH 13 18 ENDBRANCH 1 14 BRANCH 4 25 ATOM 25 C LIG 1 -1.102 -1.220 -2.047 0.00 0.00 +0.171 C BRANCH 25 26 ATOM 26 C LIG 1 -2.353 -0.521 -1.591 0.00 0.00 +0.089 A ATOM 27 C LIG 1 -3.687 -0.799 -1.981 0.00 0.00 +0.025 A ATOM 28 C LIG 1 -4.469 0.113 -1.272 0.00 0.00 +0.075 A ATOM 29 C LIG 1 -5.853 0.222 -1.500 0.00 0.00 +0.028 A ATOM 30 C LIG 1 -6.446 -0.673 -2.396 0.00 0.00 +0.002 A ATOM 31 C LIG 1 -5.687 -1.629 -3.063 0.00 0.00 +0.001 A ATOM 32 N LIG 1 -3.584 0.799 -0.447 0.00 0.00 -0.231 N ATOM 33 C LIG 1 -4.304 -1.699 -2.872 0.00 0.00 +0.012 A ATOM 34 N LIG 1 -2.291 0.527 -0.758 0.00 0.00 -0.169 NA BRANCH 32 35 ATOM 35 C LIG 1 -3.854 1.746 0.579 0.00 0.00 +0.083 A ATOM 36 C LIG 1 -4.904 1.604 1.500 0.00 0.00 +0.077 A ATOM 37 C LIG 1 -5.114 2.613 2.458 0.00 0.00 +0.021 A ATOM 38 C LIG 1 -4.276 3.728 2.522 0.00 0.00 +0.001 A ATOM 39 C LIG 1 -3.203 3.838 1.644 0.00 0.00 +0.002 A ATOM 40 C LIG 1 -2.984 2.849 0.685 0.00 0.00 +0.029 A BRANCH 36 41 ATOM 41 C LIG 1 -5.708 0.420 1.622 0.00 0.00 +0.101 C ATOM 42 N LIG 1 -6.378 -0.518 1.755 0.00 0.00 -0.191 NA ENDBRANCH 36 41 ENDBRANCH 32 35 ENDBRANCH 25 26 ENDBRANCH 4 25 TORSDOF 8