REMARK Name = BDB011740 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.081 0.736 -0.196 0.00 0.00 +0.247 C ATOM 2 C LIG 1 -1.171 0.258 -0.893 0.00 0.00 +0.249 C ATOM 3 O LIG 1 -1.804 1.004 -1.647 0.00 0.00 -0.273 OA ATOM 4 N LIG 1 -1.555 -1.052 -0.621 0.00 0.00 -0.267 N ATOM 5 C LIG 1 -0.627 -2.078 -0.175 0.00 0.00 +0.058 A ATOM 6 C LIG 1 0.789 -2.062 -0.377 0.00 0.00 +0.058 A ATOM 7 C LIG 1 1.540 -3.173 0.090 0.00 0.00 +0.025 A ATOM 8 C LIG 1 0.961 -4.272 0.719 0.00 0.00 +0.002 A ATOM 9 C LIG 1 -0.405 -4.301 0.890 0.00 0.00 +0.002 A ATOM 10 N LIG 1 1.534 -1.041 -1.078 0.00 0.00 -0.263 N ATOM 11 C LIG 1 -1.176 -3.227 0.444 0.00 0.00 +0.025 A ATOM 12 C LIG 1 1.226 0.317 -1.086 0.00 0.00 +0.250 C ATOM 13 O LIG 1 1.831 1.140 -1.783 0.00 0.00 -0.273 OA ENDROOT BRANCH 1 15 ATOM 14 C LIG 1 0.695 2.879 0.889 0.00 0.00 +0.231 C ATOM 15 N LIG 1 0.031 2.199 -0.102 0.00 0.00 -0.295 N ATOM 16 H LIG 1 -0.211 2.679 -0.962 0.00 0.00 +0.150 HD ATOM 17 O LIG 1 1.224 2.315 1.847 0.00 0.00 -0.274 OA BRANCH 14 18 ATOM 18 C LIG 1 0.759 4.409 0.679 0.00 0.00 +0.137 C ATOM 19 C LIG 1 2.065 4.721 -0.052 0.00 0.00 +0.034 C BRANCH 18 21 ATOM 20 C LIG 1 0.751 6.506 1.953 0.00 0.00 +0.101 C ATOM 21 N LIG 1 0.620 5.062 1.994 0.00 0.00 -0.309 NA ATOM 22 H LIG 1 1.306 4.653 2.632 0.00 0.00 +0.122 HD ENDBRANCH 18 21 ENDBRANCH 14 18 ENDBRANCH 1 15 BRANCH 4 23 ATOM 23 C LIG 1 -2.933 -1.418 -1.005 0.00 0.00 +0.120 C BRANCH 23 24 ATOM 24 C LIG 1 -4.093 -0.926 -0.070 0.00 0.00 -0.012 C ATOM 25 C LIG 1 -4.349 0.601 -0.201 0.00 0.00 +0.012 C ATOM 26 C LIG 1 -5.562 1.045 0.634 0.00 0.00 -0.010 C ATOM 27 C LIG 1 -5.290 0.724 2.111 0.00 0.00 +0.007 C ATOM 28 C LIG 1 -5.070 -0.786 2.282 0.00 0.00 -0.010 C ATOM 29 C LIG 1 -6.326 -1.536 1.812 0.00 0.00 +0.007 C ATOM 30 C LIG 1 -6.601 -1.222 0.333 0.00 0.00 -0.010 C ATOM 31 C LIG 1 -6.812 0.289 0.165 0.00 0.00 +0.007 C ATOM 32 C LIG 1 -3.866 -1.236 1.431 0.00 0.00 +0.012 C ATOM 33 C LIG 1 -5.394 -1.658 -0.513 0.00 0.00 +0.012 C ENDBRANCH 23 24 ENDBRANCH 4 23 BRANCH 10 34 ATOM 34 C LIG 1 2.726 -1.418 -1.849 0.00 0.00 +0.153 C BRANCH 34 35 ATOM 35 C LIG 1 4.123 -1.152 -1.274 0.00 0.00 +0.020 A ATOM 36 C LIG 1 5.249 -1.356 -2.152 0.00 0.00 -0.010 A ATOM 37 C LIG 1 6.559 -1.109 -1.670 0.00 0.00 -0.017 A ATOM 38 C LIG 1 7.678 -1.295 -2.499 0.00 0.00 +0.008 A ATOM 39 C LIG 1 7.534 -1.727 -3.814 0.00 0.00 +0.001 A ATOM 40 C LIG 1 6.267 -1.979 -4.314 0.00 0.00 +0.001 A ATOM 41 C LIG 1 6.745 -0.678 -0.356 0.00 0.00 +0.012 A ATOM 42 C LIG 1 5.661 -0.499 0.498 0.00 0.00 +0.046 A ATOM 43 C LIG 1 5.146 -1.798 -3.497 0.00 0.00 +0.009 A ATOM 44 C LIG 1 4.356 -0.735 0.059 0.00 0.00 +0.125 A BRANCH 44 45 ATOM 45 O LIG 1 3.273 -0.616 0.887 0.00 0.00 -0.495 OA ATOM 46 C LIG 1 3.447 0.011 2.152 0.00 0.00 +0.277 C ENDBRANCH 44 45 ENDBRANCH 34 35 ENDBRANCH 10 34 TORSDOF 8