REMARK Name = BDB058816 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.538 -0.376 -0.878 0.00 0.00 +0.021 A ATOM 2 C LIG 1 -2.047 0.720 -0.156 0.00 0.00 +0.128 A ATOM 3 C LIG 1 -1.154 1.624 0.420 0.00 0.00 +0.050 A ATOM 4 C LIG 1 0.225 1.426 0.298 0.00 0.00 +0.049 A ATOM 5 C LIG 1 0.735 0.335 -0.407 0.00 0.00 +0.122 A ATOM 6 C LIG 1 -0.151 -0.564 -0.998 0.00 0.00 +0.057 A ENDROOT BRANCH 1 8 ATOM 7 C LIG 1 -2.880 -2.482 -0.920 0.00 0.00 +0.037 C ATOM 8 C LIG 1 -2.432 -1.357 -1.512 0.00 0.00 +0.022 C BRANCH 7 9 ATOM 9 C LIG 1 -3.772 -3.327 -1.751 0.00 0.00 +0.333 C ATOM 10 O LIG 1 -4.128 -3.106 -2.895 0.00 0.00 -0.245 OA BRANCH 9 11 ATOM 11 O LIG 1 -4.179 -4.436 -1.113 0.00 0.00 -0.477 OA ATOM 12 H LIG 1 -4.750 -4.881 -1.772 0.00 0.00 +0.295 HD ENDBRANCH 9 11 ENDBRANCH 7 9 BRANCH 7 13 ATOM 13 C LIG 1 -2.523 -2.937 0.474 0.00 0.00 +0.042 C BRANCH 13 15 ATOM 14 C LIG 1 -3.239 -3.071 2.887 0.00 0.00 +0.004 C ATOM 15 C LIG 1 -3.625 -2.618 1.488 0.00 0.00 +0.001 C ENDBRANCH 13 15 ENDBRANCH 7 13 ENDBRANCH 1 8 BRANCH 2 16 ATOM 16 O LIG 1 -3.412 0.838 -0.110 0.00 0.00 -0.487 OA BRANCH 16 17 ATOM 17 C LIG 1 -3.990 1.642 0.921 0.00 0.00 +0.264 C BRANCH 17 18 ATOM 18 C LIG 1 -4.206 3.079 0.499 0.00 0.00 -0.010 A ATOM 19 C LIG 1 -4.483 3.412 -0.837 0.00 0.00 +0.010 A ATOM 20 C LIG 1 -4.706 4.740 -1.205 0.00 0.00 +0.039 A ATOM 21 C LIG 1 -4.665 5.735 -0.236 0.00 0.00 +0.123 A ATOM 22 F LIG 1 -4.880 7.009 -0.589 0.00 0.00 -0.205 F ATOM 23 C LIG 1 -4.408 5.427 1.094 0.00 0.00 +0.039 A ATOM 24 C LIG 1 -4.184 4.100 1.464 0.00 0.00 +0.010 A ENDBRANCH 17 18 ENDBRANCH 16 17 ENDBRANCH 2 16 BRANCH 5 25 ATOM 25 O LIG 1 2.099 0.268 -0.443 0.00 0.00 -0.487 OA BRANCH 25 26 ATOM 26 C LIG 1 2.680 -0.798 -1.192 0.00 0.00 +0.264 C BRANCH 26 27 ATOM 27 C LIG 1 4.184 -0.690 -1.089 0.00 0.00 -0.010 A ATOM 28 C LIG 1 4.812 -0.759 0.166 0.00 0.00 +0.017 A ATOM 29 C LIG 1 6.203 -0.671 0.270 0.00 0.00 -0.001 A ATOM 30 C LIG 1 6.971 -0.515 -0.891 0.00 0.00 +0.049 A ATOM 31 N LIG 1 8.366 -0.429 -0.786 0.00 0.00 -0.322 N ATOM 32 H LIG 1 8.937 -0.315 -1.612 0.00 0.00 +0.169 HD ATOM 33 C LIG 1 9.037 -0.487 0.405 0.00 0.00 +0.249 A ATOM 34 C LIG 1 8.215 -0.650 1.629 0.00 0.00 +0.071 A ATOM 35 O LIG 1 10.259 -0.411 0.475 0.00 0.00 -0.268 OA ATOM 36 C LIG 1 6.363 -0.446 -2.143 0.00 0.00 +0.026 A ATOM 37 C LIG 1 6.880 -0.736 1.566 0.00 0.00 +0.015 A ATOM 38 C LIG 1 4.972 -0.534 -2.240 0.00 0.00 +0.009 A ENDBRANCH 26 27 ENDBRANCH 25 26 ENDBRANCH 5 25 TORSDOF 11