REMARK Name = BDB011748 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.735 -0.654 -0.414 0.00 0.00 +0.247 C ATOM 2 C LIG 1 -1.344 0.381 0.636 0.00 0.00 +0.254 C ATOM 3 O LIG 1 -1.817 0.314 1.777 0.00 0.00 -0.272 OA ATOM 4 N LIG 1 -0.384 1.317 0.224 0.00 0.00 -0.237 N ATOM 5 C LIG 1 0.276 1.230 -1.054 0.00 0.00 +0.063 A ATOM 6 C LIG 1 0.749 0.014 -1.611 0.00 0.00 +0.058 A ATOM 7 C LIG 1 1.413 0.056 -2.851 0.00 0.00 +0.025 A ATOM 8 C LIG 1 1.600 1.252 -3.545 0.00 0.00 +0.002 A ATOM 9 C LIG 1 1.121 2.438 -3.014 0.00 0.00 +0.002 A ATOM 10 N LIG 1 0.606 -1.256 -0.960 0.00 0.00 -0.263 N ATOM 11 C LIG 1 0.462 2.425 -1.786 0.00 0.00 +0.026 A ATOM 12 C LIG 1 -0.613 -1.683 -0.430 0.00 0.00 +0.250 C ATOM 13 O LIG 1 -0.778 -2.822 0.019 0.00 0.00 -0.273 OA ENDROOT BRANCH 4 14 ATOM 14 C LIG 1 -0.005 2.403 1.095 0.00 0.00 +0.041 A ATOM 15 C LIG 1 -0.937 3.008 1.950 0.00 0.00 +0.024 A ATOM 16 C LIG 1 -0.565 4.056 2.799 0.00 0.00 +0.002 A ATOM 17 C LIG 1 0.750 4.512 2.815 0.00 0.00 +0.000 A ATOM 18 C LIG 1 1.695 3.918 1.985 0.00 0.00 +0.002 A ATOM 19 C LIG 1 1.321 2.873 1.134 0.00 0.00 +0.024 A ENDBRANCH 4 14 BRANCH 1 21 ATOM 20 C LIG 1 -4.200 -0.738 -0.374 0.00 0.00 +0.231 C ATOM 21 N LIG 1 -2.993 -1.304 -0.034 0.00 0.00 -0.295 N ATOM 22 H LIG 1 -2.947 -1.893 0.791 0.00 0.00 +0.150 HD ATOM 23 O LIG 1 -4.283 0.212 -1.153 0.00 0.00 -0.274 OA BRANCH 20 24 ATOM 24 C LIG 1 -5.434 -1.442 0.236 0.00 0.00 +0.137 C ATOM 25 C LIG 1 -5.843 -2.571 -0.710 0.00 0.00 +0.034 C BRANCH 24 27 ATOM 26 C LIG 1 -7.732 -0.968 0.959 0.00 0.00 +0.101 C ATOM 27 N LIG 1 -6.478 -0.428 0.468 0.00 0.00 -0.309 NA ATOM 28 H LIG 1 -6.623 0.098 -0.398 0.00 0.00 +0.122 HD ENDBRANCH 24 27 ENDBRANCH 20 24 ENDBRANCH 1 21 BRANCH 10 29 ATOM 29 C LIG 1 1.713 -2.233 -0.984 0.00 0.00 +0.149 C BRANCH 29 30 ATOM 30 C LIG 1 3.083 -1.672 -0.601 0.00 0.00 -0.019 A ATOM 31 C LIG 1 3.268 -0.981 0.645 0.00 0.00 -0.013 A ATOM 32 C LIG 1 4.516 -0.364 0.911 0.00 0.00 -0.018 A ATOM 33 C LIG 1 4.718 0.359 2.099 0.00 0.00 +0.008 A ATOM 34 C LIG 1 3.711 0.469 3.054 0.00 0.00 +0.001 A ATOM 35 C LIG 1 2.495 -0.159 2.837 0.00 0.00 +0.001 A ATOM 36 C LIG 1 5.562 -0.482 -0.007 0.00 0.00 +0.009 A ATOM 37 C LIG 1 5.410 -1.230 -1.169 0.00 0.00 +0.004 A ATOM 38 C LIG 1 2.283 -0.877 1.658 0.00 0.00 +0.009 A ATOM 39 C LIG 1 4.192 -1.851 -1.471 0.00 0.00 -0.045 A ATOM 40 C LIG 1 4.127 -2.688 -2.722 0.00 0.00 +0.044 C ENDBRANCH 29 30 ENDBRANCH 10 29 TORSDOF 6