REMARK Name = BDB059448 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.766 -0.950 0.060 0.00 0.00 +0.104 C ATOM 2 C LIG 1 -0.099 -1.583 -1.002 0.00 0.00 +0.185 C ATOM 3 O LIG 1 0.348 -1.726 -2.135 0.00 0.00 -0.291 OA ATOM 4 C LIG 1 -1.504 -2.076 -0.615 0.00 0.00 +0.111 C ATOM 5 C LIG 1 -1.654 -1.882 0.915 0.00 0.00 +0.163 C ATOM 6 C LIG 1 -1.297 -0.459 1.363 0.00 0.00 +0.102 C ATOM 7 C LIG 1 -1.916 0.405 0.374 0.00 0.00 +0.011 C ATOM 8 C LIG 1 -2.473 0.368 -0.992 0.00 0.00 +0.019 C ATOM 9 C LIG 1 -1.550 -0.157 2.744 0.00 0.00 +0.014 C ATOM 10 C LIG 1 -0.784 0.292 3.910 0.00 0.00 +0.055 C ATOM 11 C LIG 1 0.563 0.919 3.309 0.00 0.00 +0.130 C ATOM 12 C LIG 1 1.673 0.933 4.412 0.00 0.00 +0.043 C ATOM 13 C LIG 1 0.339 2.360 2.732 0.00 0.00 +0.043 C ATOM 14 O LIG 1 1.055 0.062 2.211 0.00 0.00 -0.487 OA ATOM 15 O LIG 1 -1.926 -2.785 1.704 0.00 0.00 -0.295 OA ATOM 16 C LIG 1 -2.623 -1.209 -1.342 0.00 0.00 +0.010 C ATOM 17 C LIG 1 -2.726 -1.466 -2.898 0.00 0.00 +0.001 C ATOM 18 C LIG 1 -4.066 -1.658 -0.760 0.00 0.00 +0.001 C ATOM 19 C LIG 1 0.220 -0.434 1.186 0.00 0.00 +0.127 C ENDROOT BRANCH 1 20 ATOM 20 C LIG 1 2.238 -0.927 -0.111 0.00 0.00 +0.200 C ATOM 21 O LIG 1 2.913 -1.822 0.386 0.00 0.00 -0.286 OA BRANCH 20 26 ATOM 22 C LIG 1 3.861 2.209 -2.525 0.00 0.00 +0.168 A ATOM 23 C LIG 1 2.582 2.422 -1.935 0.00 0.00 +0.221 A ATOM 24 O LIG 1 1.869 3.467 -2.102 0.00 0.00 -0.284 OA ATOM 25 C LIG 1 2.116 1.373 -1.122 0.00 0.00 +0.066 A ATOM 26 C LIG 1 2.814 0.173 -0.924 0.00 0.00 +0.026 A ATOM 27 C LIG 1 4.064 0.001 -1.507 0.00 0.00 +0.015 A ATOM 28 C LIG 1 4.586 1.017 -2.305 0.00 0.00 +0.050 A BRANCH 22 30 ATOM 29 C LIG 1 5.618 3.134 -3.872 0.00 0.00 +0.253 C ATOM 30 O LIG 1 4.319 3.255 -3.319 0.00 0.00 -0.469 OA ENDBRANCH 22 30 ENDBRANCH 20 26 ENDBRANCH 1 20 BRANCH 8 31 ATOM 31 C LIG 1 -1.635 1.123 -1.943 0.00 0.00 +0.021 C BRANCH 31 32 ATOM 32 C LIG 1 -0.880 1.947 -3.030 0.00 0.00 -0.035 C ATOM 33 C LIG 1 -0.319 2.643 -3.986 0.00 0.00 -0.048 C ATOM 34 C LIG 1 -1.153 3.894 -4.434 0.00 0.00 +0.026 C ATOM 35 C LIG 1 0.212 1.792 -5.188 0.00 0.00 +0.026 C ENDBRANCH 31 32 ENDBRANCH 8 31 BRANCH 10 36 ATOM 36 C LIG 1 -1.565 1.188 4.787 0.00 0.00 +0.025 C BRANCH 36 37 ATOM 37 C LIG 1 -2.393 2.130 5.701 0.00 0.00 -0.035 C ATOM 38 C LIG 1 -3.092 2.912 6.467 0.00 0.00 -0.048 C ATOM 39 C LIG 1 -4.475 3.389 5.997 0.00 0.00 +0.026 C ATOM 40 C LIG 1 -2.701 3.069 7.944 0.00 0.00 +0.026 C ENDBRANCH 36 37 ENDBRANCH 10 36 BRANCH 4 41 ATOM 41 C LIG 1 -1.586 -3.535 -0.935 0.00 0.00 +0.040 C BRANCH 41 42 ATOM 42 C LIG 1 -1.672 -5.050 -1.266 0.00 0.00 -0.034 C ATOM 43 C LIG 1 -1.744 -6.319 -1.534 0.00 0.00 -0.048 C ATOM 44 C LIG 1 -0.689 -7.277 -0.959 0.00 0.00 +0.026 C ATOM 45 C LIG 1 -2.998 -6.893 -2.208 0.00 0.00 +0.026 C ENDBRANCH 41 42 ENDBRANCH 4 41 TORSDOF 9