REMARK Name = BDB064911 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.181 1.971 0.992 0.00 0.00 +0.326 C ENDROOT BRANCH 1 4 ATOM 2 C LIG 1 1.955 0.159 -1.288 0.00 0.00 +0.201 C ATOM 3 N LIG 1 1.651 1.568 -1.445 0.00 0.00 -0.264 N ATOM 4 C LIG 1 1.063 2.374 -0.486 0.00 0.00 +0.256 C ATOM 5 O LIG 1 0.480 3.416 -0.804 0.00 0.00 -0.272 OA ATOM 6 C LIG 1 1.450 1.905 -2.854 0.00 0.00 +0.161 C ATOM 7 C LIG 1 2.312 3.056 -3.344 0.00 0.00 +0.038 C ATOM 8 C LIG 1 1.802 0.605 -3.564 0.00 0.00 +0.237 C ATOM 9 O LIG 1 1.754 0.421 -4.772 0.00 0.00 -0.274 OA ATOM 10 N LIG 1 2.163 -0.338 -2.617 0.00 0.00 -0.280 N ATOM 11 C LIG 1 2.212 -1.752 -2.912 0.00 0.00 +0.134 C BRANCH 2 13 ATOM 12 C LIG 1 4.395 0.400 -0.452 0.00 0.00 +0.169 A ATOM 13 C LIG 1 3.115 -0.170 -0.361 0.00 0.00 +0.038 A ATOM 14 C LIG 1 2.901 -1.132 0.642 0.00 0.00 +0.043 A ATOM 15 C LIG 1 3.908 -1.469 1.554 0.00 0.00 +0.130 A ATOM 16 C LIG 1 5.162 -0.858 1.486 0.00 0.00 +0.082 A ATOM 17 C LIG 1 5.408 0.090 0.488 0.00 0.00 +0.164 A BRANCH 15 18 ATOM 18 N LIG 1 3.628 -2.464 2.600 0.00 0.00 +0.057 N ATOM 19 O LIG 1 2.462 -2.885 2.704 0.00 0.00 -0.126 OA ATOM 20 O LIG 1 4.570 -2.826 3.318 0.00 0.00 -0.126 OA ENDBRANCH 15 18 BRANCH 17 21 ATOM 21 O LIG 1 6.594 0.762 0.339 0.00 0.00 -0.491 OA ATOM 22 C LIG 1 7.561 0.642 1.375 0.00 0.00 +0.277 C ENDBRANCH 17 21 BRANCH 12 23 ATOM 23 O LIG 1 4.630 1.336 -1.427 0.00 0.00 -0.488 OA BRANCH 23 25 ATOM 24 C LIG 1 6.424 1.951 -2.893 0.00 0.00 +0.048 C ATOM 25 C LIG 1 5.495 0.833 -2.456 0.00 0.00 +0.226 C ENDBRANCH 23 25 ENDBRANCH 12 23 ENDBRANCH 2 13 ENDBRANCH 1 4 BRANCH 1 26 ATOM 26 O LIG 1 0.173 2.554 1.812 0.00 0.00 -0.467 OA BRANCH 26 27 ATOM 27 C LIG 1 -1.033 1.908 1.649 0.00 0.00 +0.216 A ATOM 28 N LIG 1 -1.053 0.557 1.701 0.00 0.00 -0.212 NA ATOM 29 C LIG 1 -2.245 -0.072 1.602 0.00 0.00 +0.084 A ATOM 30 C LIG 1 -3.456 0.644 1.421 0.00 0.00 +0.022 A ATOM 31 C LIG 1 -4.697 -0.039 1.294 0.00 0.00 +0.043 A ATOM 32 C LIG 1 -4.704 -1.436 1.327 0.00 0.00 +0.069 A ATOM 33 C LIG 1 -3.519 -2.141 1.506 0.00 0.00 +0.128 A ATOM 34 C LIG 1 -3.374 2.050 1.390 0.00 0.00 +0.017 A ATOM 35 C LIG 1 -2.301 -1.468 1.688 0.00 0.00 +0.031 A ATOM 36 C LIG 1 -2.154 2.695 1.522 0.00 0.00 +0.068 A BRANCH 31 37 ATOM 37 N LIG 1 -5.886 0.695 1.106 0.00 0.00 -0.325 N ATOM 38 C LIG 1 -6.375 0.704 -0.293 0.00 0.00 +0.133 C ATOM 39 C LIG 1 -7.729 -0.013 -0.415 0.00 0.00 +0.178 C ATOM 40 O LIG 1 -8.756 0.533 0.429 0.00 0.00 -0.377 OA ATOM 41 C LIG 1 -8.249 1.112 1.643 0.00 0.00 +0.178 C ATOM 42 C LIG 1 -6.939 0.467 2.119 0.00 0.00 +0.133 C ENDBRANCH 31 37 BRANCH 33 43 ATOM 43 O LIG 1 -3.510 -3.512 1.569 0.00 0.00 -0.495 OA ATOM 44 C LIG 1 -4.054 -4.110 0.390 0.00 0.00 +0.277 C ENDBRANCH 33 43 BRANCH 35 45 ATOM 45 C LIG 1 -1.042 -2.273 1.930 0.00 0.00 +0.161 C BRANCH 45 46 ATOM 46 C LIG 1 -0.460 -2.858 0.663 0.00 0.00 +0.309 C ATOM 47 O LIG 1 -0.795 -2.587 -0.481 0.00 0.00 -0.251 OA BRANCH 46 48 ATOM 48 O LIG 1 0.568 -3.711 0.901 0.00 0.00 -0.480 OA ATOM 49 H LIG 1 0.841 -3.756 1.846 0.00 0.00 +0.295 HD ENDBRANCH 46 48 ENDBRANCH 45 46 ENDBRANCH 35 45 ENDBRANCH 26 27 ENDBRANCH 1 26 TORSDOF 13