REMARK Name = BDB006560 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.558 3.069 -2.354 0.00 0.00 +0.046 C ATOM 2 C LIG 1 -0.548 1.974 -2.350 0.00 0.00 -0.022 A ATOM 3 C LIG 1 -0.809 0.576 -2.197 0.00 0.00 +0.004 A ATOM 4 C LIG 1 0.414 -0.093 -2.267 0.00 0.00 +0.050 A ATOM 5 C LIG 1 0.506 -1.492 -2.169 0.00 0.00 +0.027 A ATOM 6 C LIG 1 -0.673 -2.221 -1.991 0.00 0.00 +0.015 A ATOM 7 C LIG 1 -1.906 -1.577 -1.898 0.00 0.00 +0.037 A ATOM 8 N LIG 1 1.395 0.869 -2.440 0.00 0.00 -0.339 N ATOM 9 C LIG 1 -1.988 -0.181 -2.014 0.00 0.00 +0.023 A ATOM 10 C LIG 1 0.823 2.126 -2.507 0.00 0.00 +0.020 A ATOM 11 C LIG 1 1.615 3.371 -2.716 0.00 0.00 +0.064 C ENDROOT BRANCH 7 12 ATOM 12 C LIG 1 -3.124 -2.409 -1.698 0.00 0.00 +0.245 C ATOM 13 N LIG 1 -4.134 -1.831 -0.963 0.00 0.00 -0.305 N ATOM 14 H LIG 1 -3.961 -0.962 -0.478 0.00 0.00 +0.150 HD ATOM 15 O LIG 1 -3.176 -3.547 -2.149 0.00 0.00 -0.270 OA BRANCH 13 16 ATOM 16 C LIG 1 -5.357 -2.545 -0.640 0.00 0.00 +0.100 C ATOM 17 C LIG 1 -5.125 -3.590 0.456 0.00 0.00 +0.033 C BRANCH 16 18 ATOM 18 C LIG 1 -6.438 -1.537 -0.286 0.00 0.00 -0.027 A ATOM 19 C LIG 1 -6.503 -0.924 0.977 0.00 0.00 +0.009 A ATOM 20 C LIG 1 -7.494 0.025 1.282 0.00 0.00 -0.044 A ATOM 21 C LIG 1 -8.421 0.370 0.289 0.00 0.00 +0.004 A ATOM 22 C LIG 1 -8.358 -0.216 -0.974 0.00 0.00 +0.001 A ATOM 23 C LIG 1 -7.373 -1.159 -1.261 0.00 0.00 +0.005 A BRANCH 20 24 ATOM 24 C LIG 1 -7.538 0.652 2.665 0.00 0.00 +0.013 C ATOM 25 C LIG 1 -8.845 0.322 3.391 0.00 0.00 +0.012 C ATOM 26 C LIG 1 -7.314 2.165 2.606 0.00 0.00 +0.012 C ENDBRANCH 20 24 ENDBRANCH 16 18 ENDBRANCH 13 16 ENDBRANCH 7 12 BRANCH 8 27 ATOM 27 C LIG 1 2.821 0.569 -2.581 0.00 0.00 +0.157 C BRANCH 27 28 ATOM 28 C LIG 1 3.478 0.156 -1.283 0.00 0.00 -0.028 A ATOM 29 C LIG 1 3.236 0.831 -0.079 0.00 0.00 +0.006 A ATOM 30 C LIG 1 3.883 0.445 1.100 0.00 0.00 +0.009 A ATOM 31 C LIG 1 4.806 -0.611 1.104 0.00 0.00 -0.017 A ATOM 32 C LIG 1 5.053 -1.278 -0.105 0.00 0.00 +0.009 A ATOM 33 C LIG 1 4.404 -0.896 -1.283 0.00 0.00 +0.006 A BRANCH 31 34 ATOM 34 C LIG 1 5.494 -1.009 2.344 0.00 0.00 -0.006 A ATOM 35 C LIG 1 6.895 -0.957 2.510 0.00 0.00 +0.044 A ATOM 36 C LIG 1 7.494 -1.427 3.691 0.00 0.00 +0.013 A ATOM 37 C LIG 1 6.711 -1.922 4.731 0.00 0.00 +0.001 A ATOM 38 C LIG 1 5.327 -1.959 4.594 0.00 0.00 +0.001 A ATOM 39 C LIG 1 4.727 -1.512 3.414 0.00 0.00 +0.009 A BRANCH 35 40 ATOM 40 C LIG 1 7.822 -0.425 1.477 0.00 0.00 +0.245 C ATOM 41 N LIG 1 7.513 0.826 0.981 0.00 0.00 -0.308 N ATOM 42 H LIG 1 6.675 1.290 1.310 0.00 0.00 +0.149 HD ATOM 43 O LIG 1 8.813 -1.074 1.160 0.00 0.00 -0.270 OA BRANCH 41 44 ATOM 44 C LIG 1 8.288 1.460 -0.035 0.00 0.00 +0.073 C ATOM 45 C LIG 1 7.754 1.578 -1.435 0.00 0.00 +0.024 C ATOM 46 C LIG 1 7.887 2.804 -0.580 0.00 0.00 +0.024 C ENDBRANCH 41 44 ENDBRANCH 35 40 ENDBRANCH 31 34 ENDBRANCH 27 28 ENDBRANCH 8 27 TORSDOF 9