REMARK Name = BDB064915 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.517 0.481 0.225 0.00 0.00 +0.212 C ATOM 2 N LIG 1 -1.995 1.836 0.017 0.00 0.00 -0.287 N ATOM 3 C LIG 1 -1.694 2.275 -1.256 0.00 0.00 +0.044 A ATOM 4 C LIG 1 -1.976 3.531 -1.628 0.00 0.00 +0.023 A ATOM 5 C LIG 1 -2.593 4.425 -0.675 0.00 0.00 +0.007 A ATOM 6 C LIG 1 -2.824 4.032 0.587 0.00 0.00 +0.070 A ATOM 7 C LIG 1 -1.017 1.173 -2.039 0.00 0.00 +0.122 C ATOM 8 C LIG 1 -1.729 0.890 -3.359 0.00 0.00 +0.035 C ATOM 9 C LIG 1 -2.460 2.653 1.023 0.00 0.00 +0.253 A ATOM 10 O LIG 1 -2.586 2.334 2.200 0.00 0.00 -0.268 OA ATOM 11 N LIG 1 -1.028 0.053 -1.086 0.00 0.00 -0.266 N ATOM 12 C LIG 1 -0.200 -1.057 -1.128 0.00 0.00 +0.256 C ATOM 13 O LIG 1 -0.072 -1.799 -0.147 0.00 0.00 -0.272 OA ENDROOT BRANCH 1 17 ATOM 14 C LIG 1 -4.598 -1.793 0.992 0.00 0.00 +0.126 A ATOM 15 C LIG 1 -3.757 -0.889 0.291 0.00 0.00 -0.002 A ATOM 16 C LIG 1 -4.162 -0.439 -1.089 0.00 0.00 +0.048 C ATOM 17 C LIG 1 -2.537 -0.458 0.876 0.00 0.00 +0.002 A ATOM 18 C LIG 1 -2.219 -0.915 2.175 0.00 0.00 +0.040 A ATOM 19 C LIG 1 -3.071 -1.784 2.861 0.00 0.00 +0.130 A ATOM 20 C LIG 1 -4.255 -2.230 2.273 0.00 0.00 +0.078 A BRANCH 19 21 ATOM 21 N LIG 1 -2.719 -2.235 4.213 0.00 0.00 +0.057 N ATOM 22 O LIG 1 -3.422 -3.119 4.725 0.00 0.00 -0.126 OA ATOM 23 O LIG 1 -1.748 -1.704 4.769 0.00 0.00 -0.126 OA ENDBRANCH 19 21 BRANCH 14 25 ATOM 24 C LIG 1 -6.599 -3.115 0.985 0.00 0.00 +0.277 C ATOM 25 O LIG 1 -5.735 -2.192 0.333 0.00 0.00 -0.495 OA ENDBRANCH 14 25 ENDBRANCH 1 17 BRANCH 12 26 ATOM 26 C LIG 1 0.497 -1.436 -2.448 0.00 0.00 +0.326 C BRANCH 26 27 ATOM 27 O LIG 1 1.158 -0.453 -3.227 0.00 0.00 -0.467 OA BRANCH 27 28 ATOM 28 C LIG 1 2.354 -0.044 -2.677 0.00 0.00 +0.216 A ATOM 29 N LIG 1 2.537 -0.162 -1.350 0.00 0.00 -0.212 NA ATOM 30 C LIG 1 3.701 0.257 -0.811 0.00 0.00 +0.082 A ATOM 31 C LIG 1 4.703 0.843 -1.617 0.00 0.00 +0.001 A ATOM 32 C LIG 1 5.911 1.270 -1.052 0.00 0.00 +0.013 A ATOM 33 C LIG 1 6.149 1.113 0.311 0.00 0.00 +0.046 A ATOM 34 C LIG 1 5.177 0.533 1.124 0.00 0.00 +0.126 A ATOM 35 C LIG 1 4.463 0.985 -2.990 0.00 0.00 +0.015 A ATOM 36 C LIG 1 3.947 0.123 0.564 0.00 0.00 +0.031 A ATOM 37 C LIG 1 3.266 0.538 -3.532 0.00 0.00 +0.068 A BRANCH 34 38 ATOM 38 O LIG 1 5.319 0.319 2.470 0.00 0.00 -0.495 OA ATOM 39 C LIG 1 6.566 0.650 3.067 0.00 0.00 +0.277 C ENDBRANCH 34 38 BRANCH 36 40 ATOM 40 C LIG 1 2.896 -0.522 1.450 0.00 0.00 +0.161 C BRANCH 40 41 ATOM 41 C LIG 1 3.117 -1.989 1.706 0.00 0.00 +0.309 C ATOM 42 O LIG 1 2.782 -2.589 2.717 0.00 0.00 -0.251 OA BRANCH 41 43 ATOM 43 O LIG 1 3.685 -2.671 0.692 0.00 0.00 -0.480 OA ATOM 44 H LIG 1 3.678 -3.595 1.016 0.00 0.00 +0.295 HD ENDBRANCH 41 43 ENDBRANCH 40 41 ENDBRANCH 36 40 ENDBRANCH 27 28 ENDBRANCH 26 27 ENDBRANCH 12 26 TORSDOF 10