REMARK Name = BDB011808 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.522 1.605 -0.235 0.00 0.00 +0.177 C ATOM 2 C LIG 1 0.982 1.700 -0.192 0.00 0.00 +0.242 C ATOM 3 O LIG 1 1.523 2.805 -0.333 0.00 0.00 -0.273 OA ATOM 4 N LIG 1 1.702 0.525 0.011 0.00 0.00 -0.264 N ATOM 5 C LIG 1 1.126 -0.762 0.371 0.00 0.00 +0.058 A ATOM 6 C LIG 1 -0.071 -1.351 -0.154 0.00 0.00 +0.058 A ATOM 7 C LIG 1 -0.260 -2.730 0.106 0.00 0.00 +0.025 A ATOM 8 C LIG 1 0.545 -3.471 0.972 0.00 0.00 +0.002 A ATOM 9 C LIG 1 1.595 -2.855 1.608 0.00 0.00 +0.002 A ATOM 10 N LIG 1 -1.057 -0.680 -0.979 0.00 0.00 -0.263 N ATOM 11 C LIG 1 -2.283 -1.208 -1.453 0.00 0.00 +0.251 C ATOM 12 O LIG 1 -2.757 -0.866 -2.542 0.00 0.00 -0.270 OA ATOM 13 C LIG 1 1.879 -1.528 1.299 0.00 0.00 +0.025 A ATOM 14 C LIG 1 -0.824 0.690 -1.413 0.00 0.00 +0.145 C ENDROOT BRANCH 11 15 ATOM 15 C LIG 1 -3.127 -2.136 -0.643 0.00 0.00 +0.043 A ATOM 16 C LIG 1 -3.569 -1.873 0.671 0.00 0.00 -0.007 A ATOM 17 C LIG 1 -4.416 -2.819 1.284 0.00 0.00 +0.007 A ATOM 18 C LIG 1 -4.811 -3.984 0.621 0.00 0.00 +0.000 A ATOM 19 C LIG 1 -4.390 -4.220 -0.680 0.00 0.00 +0.001 A ATOM 20 C LIG 1 -3.565 -3.294 -1.316 0.00 0.00 +0.013 A BRANCH 16 21 ATOM 21 C LIG 1 -3.236 -0.600 1.412 0.00 0.00 +0.142 C ATOM 22 C LIG 1 -2.592 -0.831 2.773 0.00 0.00 +0.043 C BRANCH 21 23 ATOM 23 O LIG 1 -4.424 0.161 1.590 0.00 0.00 -0.387 OA ATOM 24 H LIG 1 -4.312 0.954 1.017 0.00 0.00 +0.210 HD ENDBRANCH 21 23 ENDBRANCH 16 21 ENDBRANCH 11 15 BRANCH 1 26 ATOM 25 C LIG 1 -2.405 3.218 -0.149 0.00 0.00 +0.230 C ATOM 26 N LIG 1 -1.079 2.949 -0.391 0.00 0.00 -0.301 N ATOM 27 H LIG 1 -0.427 3.697 -0.619 0.00 0.00 +0.150 HD ATOM 28 O LIG 1 -3.197 2.348 0.209 0.00 0.00 -0.274 OA BRANCH 25 29 ATOM 29 C LIG 1 -2.787 4.710 -0.304 0.00 0.00 +0.137 C ATOM 30 C LIG 1 -2.514 5.412 1.029 0.00 0.00 +0.034 C BRANCH 29 32 ATOM 31 C LIG 1 -4.669 6.149 -0.957 0.00 0.00 +0.101 C ATOM 32 N LIG 1 -4.187 4.793 -0.754 0.00 0.00 -0.309 NA ATOM 33 H LIG 1 -4.784 4.295 -0.093 0.00 0.00 +0.122 HD ENDBRANCH 29 32 ENDBRANCH 25 29 ENDBRANCH 1 26 BRANCH 4 34 ATOM 34 C LIG 1 3.178 0.709 0.047 0.00 0.00 +0.149 C BRANCH 34 35 ATOM 35 C LIG 1 4.035 -0.368 -0.625 0.00 0.00 -0.019 A ATOM 36 C LIG 1 5.108 -1.009 0.091 0.00 0.00 -0.013 A ATOM 37 C LIG 1 5.837 -2.045 -0.553 0.00 0.00 -0.018 A ATOM 38 C LIG 1 6.874 -2.720 0.112 0.00 0.00 +0.008 A ATOM 39 C LIG 1 7.234 -2.381 1.415 0.00 0.00 +0.001 A ATOM 40 C LIG 1 6.561 -1.359 2.062 0.00 0.00 +0.001 A ATOM 41 C LIG 1 5.537 -2.402 -1.867 0.00 0.00 +0.009 A ATOM 42 C LIG 1 4.548 -1.734 -2.579 0.00 0.00 +0.004 A ATOM 43 C LIG 1 5.521 -0.686 1.412 0.00 0.00 +0.009 A ATOM 44 C LIG 1 3.810 -0.702 -1.987 0.00 0.00 -0.045 A ATOM 45 C LIG 1 2.778 -0.025 -2.848 0.00 0.00 +0.044 C ENDBRANCH 34 35 ENDBRANCH 4 34 TORSDOF 8