REMARK Name = BDB011755 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.210 0.041 1.572 0.00 0.00 +0.177 C ATOM 2 C LIG 1 1.218 -0.428 1.498 0.00 0.00 +0.242 C ATOM 3 O LIG 1 1.984 -0.032 2.389 0.00 0.00 -0.273 OA ATOM 4 N LIG 1 1.665 -1.237 0.451 0.00 0.00 -0.264 N ATOM 5 C LIG 1 0.910 -1.824 -0.659 0.00 0.00 +0.058 A ATOM 6 C LIG 1 -0.502 -1.886 -0.825 0.00 0.00 +0.058 A ATOM 7 C LIG 1 -1.026 -2.516 -1.991 0.00 0.00 +0.025 A ATOM 8 C LIG 1 -0.232 -3.042 -3.002 0.00 0.00 +0.002 A ATOM 9 C LIG 1 1.132 -2.960 -2.876 0.00 0.00 +0.002 A ATOM 10 N LIG 1 -1.507 -1.445 0.107 0.00 0.00 -0.263 N ATOM 11 C LIG 1 -2.722 -0.906 -0.380 0.00 0.00 +0.251 C ATOM 12 O LIG 1 -2.861 -0.421 -1.503 0.00 0.00 -0.270 OA ATOM 13 C LIG 1 1.678 -2.368 -1.734 0.00 0.00 +0.025 A ATOM 14 C LIG 1 -1.119 -1.168 1.478 0.00 0.00 +0.145 C ENDROOT BRANCH 11 15 ATOM 15 C LIG 1 -3.923 -0.951 0.495 0.00 0.00 +0.037 A ATOM 16 C LIG 1 -4.787 0.149 0.523 0.00 0.00 +0.014 A ATOM 17 C LIG 1 -5.941 0.110 1.309 0.00 0.00 +0.014 A ATOM 18 C LIG 1 -6.240 -1.029 2.066 0.00 0.00 +0.037 A ATOM 19 C LIG 1 -5.394 -2.146 2.008 0.00 0.00 +0.014 A ATOM 20 C LIG 1 -4.239 -2.109 1.219 0.00 0.00 +0.014 A BRANCH 18 21 ATOM 21 C LIG 1 -7.480 -1.028 2.886 0.00 0.00 +0.242 C ATOM 22 O LIG 1 -8.426 -0.295 2.628 0.00 0.00 -0.270 OA ATOM 23 N LIG 1 -7.512 -1.856 3.975 0.00 0.00 -0.325 N ATOM 24 H LIG 1 -6.664 -2.215 4.389 0.00 0.00 +0.145 HD ATOM 25 H LIG 1 -8.305 -1.726 4.592 0.00 0.00 +0.145 HD ENDBRANCH 18 21 ENDBRANCH 11 15 BRANCH 1 27 ATOM 26 C LIG 1 -1.508 1.998 0.818 0.00 0.00 +0.230 C ATOM 27 N LIG 1 -0.469 1.116 0.627 0.00 0.00 -0.301 N ATOM 28 H LIG 1 -0.018 1.061 -0.280 0.00 0.00 +0.150 HD ATOM 29 O LIG 1 -2.201 1.976 1.835 0.00 0.00 -0.274 OA BRANCH 26 30 ATOM 30 C LIG 1 -1.695 3.024 -0.325 0.00 0.00 +0.137 C ATOM 31 C LIG 1 -0.617 4.099 -0.187 0.00 0.00 +0.034 C BRANCH 30 33 ATOM 32 C LIG 1 -3.374 4.549 -1.269 0.00 0.00 +0.101 C ATOM 33 N LIG 1 -3.074 3.543 -0.268 0.00 0.00 -0.309 NA ATOM 34 H LIG 1 -3.257 3.895 0.674 0.00 0.00 +0.122 HD ENDBRANCH 30 33 ENDBRANCH 26 30 ENDBRANCH 1 27 BRANCH 4 35 ATOM 35 C LIG 1 3.122 -1.468 0.509 0.00 0.00 +0.153 C BRANCH 35 36 ATOM 36 C LIG 1 4.058 -0.481 -0.202 0.00 0.00 +0.020 A ATOM 37 C LIG 1 5.476 -0.712 -0.083 0.00 0.00 -0.010 A ATOM 38 C LIG 1 6.384 0.185 -0.706 0.00 0.00 -0.016 A ATOM 39 C LIG 1 7.772 -0.013 -0.612 0.00 0.00 +0.023 A ATOM 40 C LIG 1 8.288 -1.092 0.096 0.00 0.00 +0.018 A ATOM 41 C LIG 1 7.433 -1.986 0.720 0.00 0.00 +0.016 A ATOM 42 BR LIG 1 10.158 -1.340 0.209 0.00 0.00 -0.050 Br ATOM 43 C LIG 1 5.900 1.284 -1.415 0.00 0.00 +0.012 A ATOM 44 C LIG 1 4.533 1.507 -1.536 0.00 0.00 +0.046 A ATOM 45 C LIG 1 6.050 -1.796 0.631 0.00 0.00 +0.010 A ATOM 46 C LIG 1 3.612 0.625 -0.963 0.00 0.00 +0.125 A BRANCH 46 47 ATOM 47 O LIG 1 2.268 0.873 -1.096 0.00 0.00 -0.495 OA ATOM 48 C LIG 1 1.864 1.197 -2.429 0.00 0.00 +0.277 C ENDBRANCH 46 47 ENDBRANCH 35 36 ENDBRANCH 4 35 TORSDOF 8