REMARK Name = BDB000256 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.795 0.329 -0.357 0.00 0.00 +0.025 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -0.606 -0.303 -0.089 0.00 0.00 -0.003 C BRANCH 2 3 ATOM 3 C LIG 1 -0.736 -0.841 1.372 0.00 0.00 -0.014 C ATOM 4 C LIG 1 -1.357 0.128 2.382 0.00 0.00 +0.007 C ATOM 5 C LIG 1 -1.512 -2.165 1.416 0.00 0.00 +0.007 C ENDBRANCH 2 3 BRANCH 2 6 ATOM 6 C LIG 1 -1.757 0.605 -0.587 0.00 0.00 +0.039 C BRANCH 6 7 ATOM 7 C LIG 1 -3.049 -0.117 -0.905 0.00 0.00 -0.043 A ATOM 8 C LIG 1 -4.222 0.176 -0.192 0.00 0.00 +0.053 A ATOM 9 C LIG 1 -5.426 -0.482 -0.478 0.00 0.00 +0.162 A ATOM 10 C LIG 1 -5.464 -1.444 -1.506 0.00 0.00 +0.162 A ATOM 11 C LIG 1 -4.301 -1.724 -2.229 0.00 0.00 +0.049 A ATOM 12 C LIG 1 -3.105 -1.064 -1.933 0.00 0.00 +0.007 A BRANCH 10 13 ATOM 13 O LIG 1 -6.678 -2.045 -1.728 0.00 0.00 -0.491 OA ATOM 14 C LIG 1 -6.747 -3.043 -2.735 0.00 0.00 +0.277 C ENDBRANCH 10 13 BRANCH 9 15 ATOM 15 O LIG 1 -6.610 -0.257 0.182 0.00 0.00 -0.488 OA BRANCH 15 16 ATOM 16 C LIG 1 -6.610 0.685 1.248 0.00 0.00 +0.231 C BRANCH 16 17 ATOM 17 C LIG 1 -8.004 0.783 1.873 0.00 0.00 +0.069 C BRANCH 17 18 ATOM 18 C LIG 1 -9.043 1.375 0.923 0.00 0.00 +0.163 C BRANCH 18 19 ATOM 19 O LIG 1 -9.524 0.368 0.039 0.00 0.00 -0.383 OA ATOM 20 C LIG 1 -10.393 0.898 -0.950 0.00 0.00 +0.193 C ENDBRANCH 18 19 ENDBRANCH 17 18 ENDBRANCH 16 17 ENDBRANCH 15 16 ENDBRANCH 9 15 ENDBRANCH 6 7 ENDBRANCH 2 6 ENDBRANCH 1 2 BRANCH 1 21 ATOM 21 C LIG 1 1.240 1.538 0.487 0.00 0.00 +0.080 C BRANCH 21 22 ATOM 22 N LIG 1 0.344 2.688 0.262 0.00 0.00 -0.325 NA ATOM 23 H LIG 1 0.328 2.907 -0.735 0.00 0.00 +0.119 HD ATOM 24 H LIG 1 0.795 3.510 0.679 0.00 0.00 +0.119 HD ENDBRANCH 21 22 BRANCH 21 25 ATOM 25 C LIG 1 2.707 1.987 0.181 0.00 0.00 +0.132 C BRANCH 25 26 ATOM 26 O LIG 1 2.932 3.236 0.856 0.00 0.00 -0.390 OA ATOM 27 H LIG 1 2.814 3.072 1.810 0.00 0.00 +0.210 HD ENDBRANCH 25 26 BRANCH 25 28 ATOM 28 C LIG 1 3.768 0.974 0.635 0.00 0.00 +0.045 C BRANCH 28 29 ATOM 29 C LIG 1 5.200 1.283 0.138 0.00 0.00 +0.074 C ATOM 30 C LIG 1 5.818 2.521 0.788 0.00 0.00 +0.017 C BRANCH 29 33 ATOM 31 N LIG 1 7.322 0.144 -0.258 0.00 0.00 -0.315 N ATOM 32 H LIG 1 7.414 0.811 -1.014 0.00 0.00 +0.149 HD ATOM 33 C LIG 1 6.105 0.073 0.389 0.00 0.00 +0.216 C ATOM 34 O LIG 1 5.782 -0.871 1.103 0.00 0.00 -0.276 OA BRANCH 31 35 ATOM 35 C LIG 1 8.249 -0.970 -0.220 0.00 0.00 +0.104 C BRANCH 35 36 ATOM 36 C LIG 1 9.650 -0.534 -0.638 0.00 0.00 +0.018 C BRANCH 36 38 ATOM 37 C LIG 1 10.448 -2.813 -1.459 0.00 0.00 +0.004 C ATOM 38 C LIG 1 10.692 -1.646 -0.515 0.00 0.00 -0.002 C ENDBRANCH 36 38 ENDBRANCH 35 36 ENDBRANCH 31 35 ENDBRANCH 29 33 ENDBRANCH 28 29 ENDBRANCH 25 28 ENDBRANCH 21 25 ENDBRANCH 1 21 TORSDOF 20