REMARK Name = BDB052206 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.162 -2.673 -0.590 0.00 0.00 +0.139 A ATOM 2 C LIG 1 0.375 -1.636 0.337 0.00 0.00 +0.121 A ATOM 3 C LIG 1 -0.711 -0.813 0.605 0.00 0.00 +0.152 A ATOM 4 O LIG 1 -0.728 0.257 1.476 0.00 0.00 -0.458 OA ATOM 5 C LIG 1 -1.961 0.885 1.337 0.00 0.00 +0.127 C ATOM 6 C LIG 1 -2.915 0.060 0.489 0.00 0.00 +0.117 C ATOM 7 C LIG 1 -4.006 -0.600 1.334 0.00 0.00 +0.033 C ATOM 8 C LIG 1 -3.466 1.050 -0.535 0.00 0.00 +0.169 C ATOM 9 O LIG 1 -3.481 0.840 -1.751 0.00 0.00 -0.295 OA ATOM 10 C LIG 1 -4.020 2.358 -0.001 0.00 0.00 +0.192 C ATOM 11 C LIG 1 -3.411 2.802 1.310 0.00 0.00 +0.177 C ATOM 12 O LIG 1 -3.844 3.758 1.948 0.00 0.00 -0.291 OA ATOM 13 C LIG 1 -2.180 2.127 1.778 0.00 0.00 +0.090 C ATOM 14 C LIG 1 -1.952 -0.971 -0.029 0.00 0.00 +0.058 A ATOM 15 C LIG 1 -2.142 -1.992 -0.937 0.00 0.00 +0.128 A ATOM 16 C LIG 1 -1.079 -2.839 -1.237 0.00 0.00 +0.092 A ENDROOT BRANCH 2 17 ATOM 17 C LIG 1 1.674 -1.393 1.025 0.00 0.00 +0.251 C ATOM 18 N LIG 1 2.805 -1.826 0.370 0.00 0.00 -0.307 N ATOM 19 H LIG 1 2.704 -2.242 -0.550 0.00 0.00 +0.149 HD ATOM 20 O LIG 1 1.716 -0.820 2.107 0.00 0.00 -0.270 OA BRANCH 18 21 ATOM 21 C LIG 1 4.135 -1.537 0.849 0.00 0.00 +0.139 C BRANCH 21 22 ATOM 22 C LIG 1 4.703 -0.327 0.150 0.00 0.00 -0.030 A ATOM 23 C LIG 1 5.537 -0.470 -0.968 0.00 0.00 +0.007 A ATOM 24 C LIG 1 6.041 0.655 -1.626 0.00 0.00 +0.033 A ATOM 25 C LIG 1 5.701 1.934 -1.166 0.00 0.00 +0.126 A ATOM 26 C LIG 1 4.863 2.093 -0.057 0.00 0.00 +0.033 A ATOM 27 C LIG 1 4.365 0.962 0.594 0.00 0.00 +0.007 A BRANCH 25 28 ATOM 28 N LIG 1 6.225 3.118 -1.858 0.00 0.00 +0.056 N ATOM 29 O LIG 1 5.891 4.233 -1.431 0.00 0.00 -0.126 OA ATOM 30 O LIG 1 6.972 2.934 -2.830 0.00 0.00 -0.126 OA ENDBRANCH 25 28 ENDBRANCH 21 22 ENDBRANCH 18 21 ENDBRANCH 2 17 BRANCH 10 31 ATOM 31 C LIG 1 -5.526 2.360 0.045 0.00 0.00 +0.148 C ATOM 32 O LIG 1 -6.165 1.367 0.396 0.00 0.00 -0.296 OA ATOM 33 C LIG 1 -6.227 3.639 -0.333 0.00 0.00 +0.087 C ENDBRANCH 10 31 BRANCH 1 35 ATOM 34 C LIG 1 1.068 -4.745 -0.172 0.00 0.00 +0.277 C ATOM 35 O LIG 1 1.171 -3.540 -0.939 0.00 0.00 -0.494 OA ENDBRANCH 1 35 BRANCH 15 36 ATOM 36 O LIG 1 -3.367 -2.164 -1.495 0.00 0.00 -0.506 OA ATOM 37 H LIG 1 -3.291 -2.735 -2.278 0.00 0.00 +0.292 HD ENDBRANCH 15 36 TORSDOF 7