REMARK Name = BDB046867 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.325 0.603 -0.021 0.00 0.00 +0.104 C ATOM 2 C LIG 1 -0.232 -0.382 -1.019 0.00 0.00 +0.185 C ATOM 3 O LIG 1 -0.284 -0.049 -2.200 0.00 0.00 -0.291 OA ATOM 4 C LIG 1 -0.795 -1.719 -0.508 0.00 0.00 +0.111 C ATOM 5 C LIG 1 -0.787 -1.668 1.043 0.00 0.00 +0.163 C ATOM 6 C LIG 1 -1.341 -0.340 1.584 0.00 0.00 +0.102 C ATOM 7 C LIG 1 -2.538 -0.106 0.793 0.00 0.00 +0.014 C ATOM 8 C LIG 1 -3.171 -0.538 -0.470 0.00 0.00 +0.037 C ATOM 9 C LIG 1 -1.498 -0.239 3.010 0.00 0.00 +0.014 C ATOM 10 C LIG 1 -0.947 0.525 4.137 0.00 0.00 +0.055 C ATOM 11 C LIG 1 0.392 1.212 3.566 0.00 0.00 +0.130 C ATOM 12 C LIG 1 1.591 0.198 3.615 0.00 0.00 +0.043 C ATOM 13 C LIG 1 0.774 2.500 4.373 0.00 0.00 +0.043 C ATOM 14 O LIG 1 0.180 1.609 2.160 0.00 0.00 -0.487 OA ATOM 15 O LIG 1 -0.359 -2.555 1.775 0.00 0.00 -0.295 OA ATOM 16 C LIG 1 -2.309 -1.845 -0.966 0.00 0.00 +0.013 C ATOM 17 C LIG 1 -2.532 -2.105 -2.511 0.00 0.00 +0.001 C ATOM 18 C LIG 1 -2.994 -3.110 -0.237 0.00 0.00 +0.001 C ATOM 19 C LIG 1 -0.238 0.652 1.208 0.00 0.00 +0.127 C ENDROOT BRANCH 1 20 ATOM 20 C LIG 1 1.431 1.521 -0.417 0.00 0.00 +0.200 C ATOM 21 O LIG 1 1.395 2.718 -0.162 0.00 0.00 -0.286 OA BRANCH 20 26 ATOM 22 C LIG 1 4.435 -0.404 -2.753 0.00 0.00 +0.168 A ATOM 23 C LIG 1 3.833 -1.147 -1.696 0.00 0.00 +0.221 A ATOM 24 O LIG 1 4.058 -2.380 -1.453 0.00 0.00 -0.284 OA ATOM 25 C LIG 1 2.926 -0.425 -0.903 0.00 0.00 +0.066 A ATOM 26 C LIG 1 2.543 0.898 -1.176 0.00 0.00 +0.026 A ATOM 27 C LIG 1 3.156 1.603 -2.201 0.00 0.00 +0.015 A ATOM 28 C LIG 1 4.109 0.954 -2.984 0.00 0.00 +0.050 A BRANCH 22 30 ATOM 29 C LIG 1 5.978 -0.435 -4.590 0.00 0.00 +0.253 C ATOM 30 O LIG 1 5.351 -1.117 -3.518 0.00 0.00 -0.469 OA ENDBRANCH 22 30 ENDBRANCH 20 26 ENDBRANCH 1 20 BRANCH 8 31 ATOM 31 C LIG 1 -3.203 0.587 -1.433 0.00 0.00 -0.035 C ATOM 32 C LIG 1 -3.234 1.495 -2.223 0.00 0.00 -0.031 C BRANCH 32 33 ATOM 33 C LIG 1 -3.274 2.567 -3.159 0.00 0.00 +0.022 C ATOM 34 C LIG 1 -2.780 3.954 -2.706 0.00 0.00 +0.005 C ATOM 35 C LIG 1 -4.271 2.493 -4.331 0.00 0.00 +0.005 C ENDBRANCH 32 33 ENDBRANCH 8 31 BRANCH 10 36 ATOM 36 C LIG 1 -1.976 1.489 4.601 0.00 0.00 +0.025 C BRANCH 36 37 ATOM 37 C LIG 1 -3.062 2.486 5.084 0.00 0.00 -0.035 C ATOM 38 C LIG 1 -3.982 3.313 5.481 0.00 0.00 -0.048 C ATOM 39 C LIG 1 -5.053 3.774 4.481 0.00 0.00 +0.026 C ATOM 40 C LIG 1 -4.175 3.575 6.981 0.00 0.00 +0.026 C ENDBRANCH 36 37 ENDBRANCH 10 36 BRANCH 4 41 ATOM 41 C LIG 1 0.102 -2.800 -0.990 0.00 0.00 +0.040 C BRANCH 41 42 ATOM 42 C LIG 1 1.144 -3.843 -1.487 0.00 0.00 -0.034 C ATOM 43 C LIG 1 2.035 -4.706 -1.901 0.00 0.00 -0.048 C ATOM 44 C LIG 1 2.303 -5.904 -0.932 0.00 0.00 +0.026 C ATOM 45 C LIG 1 1.912 -5.126 -3.401 0.00 0.00 +0.026 C ENDBRANCH 41 42 ENDBRANCH 4 41 TORSDOF 9