REMARK Name = BDB011881 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.962 1.322 0.886 0.00 0.00 +0.180 C ATOM 2 C LIG 1 -1.702 0.033 0.487 0.00 0.00 +0.108 C ATOM 3 C LIG 1 -2.820 -0.287 1.495 0.00 0.00 +0.031 C ATOM 4 N LIG 1 -0.831 -1.161 0.318 0.00 0.00 -0.264 N ATOM 5 C LIG 1 -1.209 -2.290 -0.433 0.00 0.00 +0.223 C ATOM 6 O LIG 1 -0.643 -3.381 -0.329 0.00 0.00 -0.275 OA ATOM 7 C LIG 1 0.231 -1.285 1.279 0.00 0.00 +0.059 A ATOM 8 C LIG 1 1.305 -0.360 1.295 0.00 0.00 +0.058 A ATOM 9 C LIG 1 2.324 -0.530 2.242 0.00 0.00 +0.026 A ATOM 10 C LIG 1 2.304 -1.601 3.140 0.00 0.00 +0.021 A ATOM 11 C LIG 1 1.262 -2.526 3.104 0.00 0.00 +0.054 A ATOM 12 N LIG 1 1.389 0.683 0.319 0.00 0.00 -0.264 N ATOM 13 C LIG 1 0.229 -2.365 2.179 0.00 0.00 +0.044 A ATOM 14 C LIG 1 0.290 1.488 0.015 0.00 0.00 +0.242 C ATOM 15 O LIG 1 0.308 2.342 -0.879 0.00 0.00 -0.273 OA ENDROOT BRANCH 5 16 ATOM 16 C LIG 1 -2.309 -2.109 -1.487 0.00 0.00 +0.080 C ATOM 17 C LIG 1 -2.861 -3.465 -1.954 0.00 0.00 +0.041 C ATOM 18 C LIG 1 -3.869 -3.270 -3.078 0.00 0.00 +0.160 C ATOM 19 O LIG 1 -3.280 -2.559 -4.165 0.00 0.00 -0.380 OA ATOM 20 C LIG 1 -2.831 -1.259 -3.791 0.00 0.00 +0.160 C ATOM 21 C LIG 1 -1.768 -1.347 -2.704 0.00 0.00 +0.041 C ENDBRANCH 5 16 BRANCH 1 23 ATOM 22 C LIG 1 -2.421 3.167 1.698 0.00 0.00 +0.230 C ATOM 23 N LIG 1 -1.781 2.525 0.663 0.00 0.00 -0.301 N ATOM 24 H LIG 1 -1.560 3.044 -0.182 0.00 0.00 +0.150 HD ATOM 25 O LIG 1 -2.515 2.655 2.814 0.00 0.00 -0.274 OA BRANCH 22 26 ATOM 26 C LIG 1 -3.103 4.515 1.338 0.00 0.00 +0.137 C ATOM 27 C LIG 1 -2.146 5.479 0.644 0.00 0.00 +0.034 C BRANCH 26 29 ATOM 28 C LIG 1 -4.845 5.842 2.402 0.00 0.00 +0.101 C ATOM 29 N LIG 1 -3.582 5.144 2.589 0.00 0.00 -0.309 NA ATOM 30 H LIG 1 -3.707 4.401 3.286 0.00 0.00 +0.122 HD ENDBRANCH 26 29 ENDBRANCH 22 26 ENDBRANCH 1 23 BRANCH 11 31 ATOM 31 C LIG 1 1.245 -3.629 4.019 0.00 0.00 +0.099 C ATOM 32 N LIG 1 1.232 -4.510 4.776 0.00 0.00 -0.191 NA ENDBRANCH 11 31 BRANCH 12 33 ATOM 33 C LIG 1 2.671 1.096 -0.278 0.00 0.00 +0.149 C BRANCH 33 34 ATOM 34 C LIG 1 3.787 0.065 -0.422 0.00 0.00 -0.019 A ATOM 35 C LIG 1 3.577 -1.154 -1.146 0.00 0.00 -0.013 A ATOM 36 C LIG 1 4.623 -2.111 -1.200 0.00 0.00 -0.018 A ATOM 37 C LIG 1 4.441 -3.333 -1.869 0.00 0.00 +0.008 A ATOM 38 C LIG 1 3.241 -3.630 -2.506 0.00 0.00 +0.001 A ATOM 39 C LIG 1 2.212 -2.701 -2.491 0.00 0.00 +0.001 A ATOM 40 C LIG 1 5.850 -1.842 -0.591 0.00 0.00 +0.009 A ATOM 41 C LIG 1 6.076 -0.632 0.055 0.00 0.00 +0.004 A ATOM 42 C LIG 1 2.381 -1.481 -1.830 0.00 0.00 +0.009 A ATOM 43 C LIG 1 5.068 0.336 0.137 0.00 0.00 -0.045 A ATOM 44 C LIG 1 5.403 1.638 0.819 0.00 0.00 +0.044 C ENDBRANCH 33 34 ENDBRANCH 12 33 TORSDOF 7