REMARK Name = BDB064638 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.165 -1.488 0.848 0.00 0.00 +0.163 C ENDROOT BRANCH 1 5 ATOM 2 N LIG 1 1.767 -1.841 2.701 0.00 0.00 -0.328 N ATOM 3 H LIG 1 2.060 -2.300 3.552 0.00 0.00 +0.145 HD ATOM 4 H LIG 1 2.342 -1.093 2.331 0.00 0.00 +0.145 HD ATOM 5 C LIG 1 0.593 -2.228 2.129 0.00 0.00 +0.231 C ATOM 6 O LIG 1 -0.080 -3.127 2.633 0.00 0.00 -0.274 OA ENDBRANCH 1 5 BRANCH 1 7 ATOM 7 N LIG 1 -1.235 -1.847 0.608 0.00 0.00 -0.302 N ATOM 8 H LIG 1 -1.638 -2.515 1.262 0.00 0.00 +0.150 HD ATOM 9 C LIG 1 -2.061 -1.031 -0.131 0.00 0.00 +0.234 C ATOM 10 O LIG 1 -1.639 -0.063 -0.761 0.00 0.00 -0.274 OA BRANCH 9 11 ATOM 11 C LIG 1 -3.525 -1.506 -0.189 0.00 0.00 +0.164 C ATOM 12 N LIG 1 -4.424 -0.408 -0.546 0.00 0.00 -0.287 N ATOM 13 C LIG 1 -4.679 0.613 0.347 0.00 0.00 +0.222 C ATOM 14 O LIG 1 -4.259 0.545 1.504 0.00 0.00 -0.275 OA ATOM 15 C LIG 1 -4.967 -0.585 -1.883 0.00 0.00 +0.140 C ATOM 16 C LIG 1 -4.934 -2.101 -2.063 0.00 0.00 +0.134 C ATOM 17 C LIG 1 -3.673 -2.533 -1.322 0.00 0.00 +0.065 C BRANCH 16 18 ATOM 18 O LIG 1 -6.077 -2.700 -1.448 0.00 0.00 -0.390 OA ATOM 19 H LIG 1 -6.160 -2.333 -0.549 0.00 0.00 +0.210 HD ENDBRANCH 16 18 BRANCH 13 20 ATOM 20 C LIG 1 -5.538 1.761 -0.162 0.00 0.00 +0.154 C BRANCH 20 21 ATOM 21 C LIG 1 -5.413 3.012 0.638 0.00 0.00 +0.092 A ATOM 22 N LIG 1 -5.199 4.181 0.015 0.00 0.00 -0.083 NA ATOM 23 O LIG 1 -5.161 5.140 1.012 0.00 0.00 -0.363 OA ATOM 24 C LIG 1 -5.370 4.548 2.213 0.00 0.00 +0.230 A ATOM 25 C LIG 1 -5.550 3.203 2.034 0.00 0.00 +0.068 A ENDBRANCH 20 21 ENDBRANCH 13 20 ENDBRANCH 9 11 ENDBRANCH 1 7 BRANCH 1 26 ATOM 26 C LIG 1 1.047 -1.876 -0.350 0.00 0.00 +0.067 C BRANCH 26 27 ATOM 27 C LIG 1 2.383 -1.169 -0.376 0.00 0.00 -0.045 A ATOM 28 C LIG 1 2.448 0.210 -0.601 0.00 0.00 +0.004 A ATOM 29 C LIG 1 3.680 0.870 -0.607 0.00 0.00 +0.009 A ATOM 30 C LIG 1 4.879 0.172 -0.394 0.00 0.00 -0.018 A ATOM 31 C LIG 1 4.802 -1.213 -0.180 0.00 0.00 +0.009 A ATOM 32 C LIG 1 3.572 -1.878 -0.174 0.00 0.00 +0.004 A BRANCH 30 33 ATOM 33 C LIG 1 6.177 0.869 -0.403 0.00 0.00 -0.018 A ATOM 34 C LIG 1 7.081 0.731 0.664 0.00 0.00 +0.008 A ATOM 35 C LIG 1 8.312 1.393 0.656 0.00 0.00 +0.001 A ATOM 36 C LIG 1 8.661 2.205 -0.420 0.00 0.00 +0.000 A ATOM 37 C LIG 1 7.780 2.355 -1.487 0.00 0.00 +0.001 A ATOM 38 C LIG 1 6.549 1.693 -1.478 0.00 0.00 +0.008 A ENDBRANCH 30 33 ENDBRANCH 26 27 ENDBRANCH 1 26 TORSDOF 9