REMARK Name = BDB043174 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -4.993 -1.404 -0.890 0.00 0.00 +0.177 C ATOM 2 O LIG 1 -4.633 -0.137 -1.530 0.00 0.00 -0.460 OA ATOM 3 C LIG 1 -3.367 0.345 -1.643 0.00 0.00 +0.338 C ATOM 4 O LIG 1 -3.066 1.058 -2.594 0.00 0.00 -0.248 OA ATOM 5 C LIG 1 -2.395 -0.020 -0.512 0.00 0.00 +0.243 C ATOM 6 C LIG 1 -0.914 0.334 -0.826 0.00 0.00 +0.113 C ATOM 7 N LIG 1 -0.421 -0.445 -1.978 0.00 0.00 -0.308 N ATOM 8 H LIG 1 -0.776 -0.161 -2.888 0.00 0.00 +0.149 HD ATOM 9 C LIG 1 0.285 -1.614 -2.039 0.00 0.00 +0.237 C ATOM 10 O LIG 1 0.350 -2.181 -3.132 0.00 0.00 -0.274 OA ATOM 11 C LIG 1 0.931 -2.237 -0.784 0.00 0.00 +0.197 C ATOM 12 C LIG 1 -0.125 -2.920 0.101 0.00 0.00 +0.263 C ATOM 13 O LIG 1 -1.025 -3.698 -0.711 0.00 0.00 -0.462 OA ATOM 14 C LIG 1 -2.297 -3.816 -0.250 0.00 0.00 +0.307 C ATOM 15 O LIG 1 -2.704 -3.382 0.820 0.00 0.00 -0.251 OA ATOM 16 C LIG 1 -3.162 -4.520 -1.265 0.00 0.00 +0.121 C ATOM 17 C LIG 1 -4.584 -3.950 -1.295 0.00 0.00 +0.015 C ATOM 18 C LIG 1 -4.664 -2.534 -1.888 0.00 0.00 +0.045 C ENDROOT BRANCH 11 19 ATOM 19 N LIG 1 1.724 -1.204 -0.115 0.00 0.00 -0.300 N ATOM 20 H LIG 1 2.098 -0.465 -0.718 0.00 0.00 +0.150 HD ATOM 21 C LIG 1 2.379 -1.390 1.082 0.00 0.00 +0.234 C ATOM 22 O LIG 1 2.299 -2.421 1.740 0.00 0.00 -0.274 OA BRANCH 21 23 ATOM 23 C LIG 1 3.265 -0.193 1.482 0.00 0.00 +0.166 C BRANCH 23 24 ATOM 24 N LIG 1 4.529 -0.326 0.766 0.00 0.00 -0.269 N ATOM 25 H LIG 1 5.251 -0.935 1.127 0.00 0.00 +0.153 HD ATOM 26 C LIG 1 4.644 -0.005 -0.551 0.00 0.00 +0.401 C ATOM 27 O LIG 1 3.743 0.489 -1.213 0.00 0.00 -0.226 OA BRANCH 26 28 ATOM 28 O LIG 1 5.859 -0.389 -0.993 0.00 0.00 -0.445 OA BRANCH 28 29 ATOM 29 C LIG 1 6.217 -0.256 -2.392 0.00 0.00 +0.107 C ATOM 30 C LIG 1 5.306 -1.111 -3.279 0.00 0.00 +0.055 C ATOM 31 C LIG 1 6.227 1.212 -2.830 0.00 0.00 +0.055 C ATOM 32 C LIG 1 7.648 -0.808 -2.483 0.00 0.00 +0.055 C ENDBRANCH 28 29 ENDBRANCH 26 28 ENDBRANCH 23 24 BRANCH 23 33 ATOM 33 C LIG 1 3.462 -0.168 3.004 0.00 0.00 +0.067 C BRANCH 33 34 ATOM 34 C LIG 1 4.011 1.154 3.488 0.00 0.00 -0.045 A ATOM 35 C LIG 1 5.381 1.314 3.731 0.00 0.00 +0.004 A ATOM 36 C LIG 1 5.883 2.544 4.161 0.00 0.00 +0.000 A ATOM 37 C LIG 1 5.022 3.624 4.348 0.00 0.00 +0.000 A ATOM 38 C LIG 1 3.658 3.475 4.107 0.00 0.00 +0.000 A ATOM 39 C LIG 1 3.153 2.247 3.679 0.00 0.00 +0.004 A ENDBRANCH 33 34 ENDBRANCH 23 33 ENDBRANCH 21 23 ENDBRANCH 11 19 BRANCH 5 40 ATOM 40 O LIG 1 -2.757 0.492 0.766 0.00 0.00 -0.379 OA ATOM 41 H LIG 1 -3.673 0.229 0.958 0.00 0.00 +0.211 HD ENDBRANCH 5 40 BRANCH 1 42 ATOM 42 C LIG 1 -6.495 -1.250 -0.583 0.00 0.00 +0.044 C BRANCH 42 43 ATOM 43 C LIG 1 -7.158 -2.335 0.263 0.00 0.00 +0.003 C BRANCH 43 45 ATOM 44 C LIG 1 -7.334 -3.461 2.512 0.00 0.00 +0.004 C ATOM 45 C LIG 1 -6.583 -2.435 1.677 0.00 0.00 -0.003 C ENDBRANCH 43 45 ENDBRANCH 42 43 ENDBRANCH 1 42 BRANCH 6 46 ATOM 46 C LIG 1 -0.538 1.821 -1.034 0.00 0.00 +0.029 C BRANCH 46 47 ATOM 47 C LIG 1 -0.799 2.755 0.172 0.00 0.00 -0.009 C ATOM 48 C LIG 1 -2.132 3.521 0.056 0.00 0.00 +0.003 C ATOM 49 C LIG 1 -2.114 4.628 -1.000 0.00 0.00 +0.000 C ATOM 50 C LIG 1 -0.941 5.583 -0.805 0.00 0.00 +0.000 C ATOM 51 C LIG 1 0.387 4.837 -0.726 0.00 0.00 +0.000 C ATOM 52 C LIG 1 0.354 3.763 0.358 0.00 0.00 +0.003 C ENDBRANCH 46 47 ENDBRANCH 6 46 TORSDOF 13