REMARK Name = BDB003755 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.877 0.301 -0.313 0.00 0.00 +0.107 C ATOM 2 C LIG 1 0.296 0.561 -1.722 0.00 0.00 +0.163 C ATOM 3 O LIG 1 0.779 0.040 -2.731 0.00 0.00 -0.295 OA ATOM 4 C LIG 1 -0.578 1.828 -1.832 0.00 0.00 +0.108 C ATOM 5 C LIG 1 -1.526 2.005 -0.643 0.00 0.00 +0.171 C ATOM 6 C LIG 1 -1.390 1.157 0.564 0.00 0.00 +0.177 C ATOM 7 O LIG 1 -2.394 2.881 -0.633 0.00 0.00 -0.295 OA ATOM 8 C LIG 1 0.443 3.050 -1.858 0.00 0.00 +0.010 C ATOM 9 C LIG 1 1.425 3.026 -3.136 0.00 0.00 +0.001 C ATOM 10 C LIG 1 -0.242 4.496 -1.968 0.00 0.00 +0.001 C ATOM 11 C LIG 1 1.424 3.012 -0.535 0.00 0.00 +0.019 C ATOM 12 C LIG 1 -0.162 0.363 0.819 0.00 0.00 +0.171 C ATOM 13 O LIG 1 0.097 0.040 1.984 0.00 0.00 -0.295 OA ATOM 14 C LIG 1 1.609 1.591 -0.185 0.00 0.00 +0.011 C ENDROOT BRANCH 6 15 ATOM 15 C LIG 1 -2.596 0.907 1.419 0.00 0.00 +0.186 C ATOM 16 O LIG 1 -2.990 1.685 2.273 0.00 0.00 -0.290 OA BRANCH 15 17 ATOM 17 C LIG 1 -3.185 -0.431 1.137 0.00 0.00 +0.023 A ATOM 18 C LIG 1 -3.265 -0.671 -0.233 0.00 0.00 +0.066 A ATOM 19 C LIG 1 -2.370 -1.570 -0.835 0.00 0.00 +0.226 A ATOM 20 O LIG 1 -2.104 -1.380 -2.074 0.00 0.00 -0.284 OA ATOM 21 C LIG 1 -1.756 -2.557 0.038 0.00 0.00 +0.225 A ATOM 22 O LIG 1 -0.916 -3.451 -0.334 0.00 0.00 -0.284 OA ATOM 23 C LIG 1 -2.083 -2.500 1.421 0.00 0.00 +0.055 A ATOM 24 C LIG 1 -2.746 -1.423 1.993 0.00 0.00 +0.015 A ENDBRANCH 15 17 ENDBRANCH 6 15 BRANCH 1 25 ATOM 25 C LIG 1 1.805 -0.887 -0.186 0.00 0.00 +0.035 C BRANCH 25 26 ATOM 26 C LIG 1 1.722 -2.026 -1.057 0.00 0.00 -0.034 C ATOM 27 C LIG 1 1.664 -3.142 -1.740 0.00 0.00 -0.048 C ATOM 28 C LIG 1 2.497 -4.315 -1.039 0.00 0.00 +0.026 C ATOM 29 C LIG 1 2.093 -3.037 -3.256 0.00 0.00 +0.026 C ENDBRANCH 25 26 BRANCH 25 30 ATOM 30 C LIG 1 2.541 -1.090 1.026 0.00 0.00 +0.010 C BRANCH 30 31 ATOM 31 C LIG 1 3.096 -1.469 2.282 0.00 0.00 +0.023 C BRANCH 31 33 ATOM 32 C LIG 1 3.708 1.043 2.871 0.00 0.00 +0.026 C ATOM 33 C LIG 1 3.521 -0.467 3.241 0.00 0.00 -0.044 C ATOM 34 C LIG 1 4.102 -0.830 4.646 0.00 0.00 -0.009 C ENDBRANCH 31 33 BRANCH 31 35 ATOM 35 C LIG 1 3.136 -2.861 2.595 0.00 0.00 +0.029 C BRANCH 35 36 ATOM 36 C LIG 1 3.135 -4.393 2.805 0.00 0.00 -0.034 C ATOM 37 C LIG 1 3.165 -5.684 2.949 0.00 0.00 -0.048 C ATOM 38 C LIG 1 4.502 -6.407 2.635 0.00 0.00 +0.026 C ATOM 39 C LIG 1 2.304 -6.321 4.068 0.00 0.00 +0.026 C ENDBRANCH 35 36 ENDBRANCH 31 35 ENDBRANCH 30 31 ENDBRANCH 25 30 ENDBRANCH 1 25 BRANCH 4 40 ATOM 40 C LIG 1 -1.416 1.705 -3.056 0.00 0.00 +0.039 C BRANCH 40 41 ATOM 41 C LIG 1 -2.332 1.266 -4.224 0.00 0.00 -0.034 C ATOM 42 C LIG 1 -3.112 0.805 -5.157 0.00 0.00 -0.048 C ATOM 43 C LIG 1 -2.511 0.624 -6.582 0.00 0.00 +0.026 C ATOM 44 C LIG 1 -4.601 1.266 -5.138 0.00 0.00 +0.026 C ENDBRANCH 40 41 ENDBRANCH 4 40 BRANCH 11 45 ATOM 45 C LIG 1 0.848 3.710 0.642 0.00 0.00 +0.021 C BRANCH 45 46 ATOM 46 C LIG 1 0.216 4.412 1.879 0.00 0.00 -0.035 C ATOM 47 C LIG 1 -0.308 5.014 2.906 0.00 0.00 -0.048 C ATOM 48 C LIG 1 0.274 4.728 4.306 0.00 0.00 +0.026 C ATOM 49 C LIG 1 -0.989 6.382 2.689 0.00 0.00 +0.026 C ENDBRANCH 45 46 ENDBRANCH 11 45 TORSDOF 13