REMARK Name = BDB024886 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 5.378 -0.597 0.390 0.00 0.00 +0.407 C ATOM 2 N LIG 1 4.125 -1.162 0.689 0.00 0.00 -0.234 N ATOM 3 C LIG 1 4.030 -2.589 1.086 0.00 0.00 +0.082 C ATOM 4 C LIG 1 4.628 -2.820 2.486 0.00 0.00 +0.028 C ATOM 5 C LIG 1 2.606 -3.167 1.098 0.00 0.00 +0.027 C ATOM 6 C LIG 1 1.802 -2.635 -0.065 0.00 0.00 +0.041 C ATOM 7 C LIG 1 1.743 -1.142 0.076 0.00 0.00 +0.002 A ATOM 8 C LIG 1 0.562 -0.418 -0.191 0.00 0.00 +0.094 A ATOM 9 N LIG 1 -0.670 -0.890 -0.560 0.00 0.00 -0.229 NA ATOM 10 C LIG 1 -1.459 0.162 -0.684 0.00 0.00 +0.144 A ATOM 11 N LIG 1 -0.748 1.325 -0.420 0.00 0.00 -0.322 N ATOM 12 C LIG 1 0.544 0.966 -0.085 0.00 0.00 +0.070 A ATOM 13 C LIG 1 1.678 1.688 0.293 0.00 0.00 +0.030 A ATOM 14 C LIG 1 2.850 0.963 0.549 0.00 0.00 +0.026 A ATOM 15 C LIG 1 2.909 -0.433 0.441 0.00 0.00 +0.045 A ATOM 16 O LIG 1 5.586 0.549 0.006 0.00 0.00 -0.226 OA ENDROOT BRANCH 11 17 ATOM 17 C LIG 1 -1.290 2.683 -0.433 0.00 0.00 +0.090 C ATOM 18 C LIG 1 -1.366 3.292 0.973 0.00 0.00 +0.039 C ATOM 19 C LIG 1 -2.134 4.622 0.975 0.00 0.00 +0.100 C ATOM 20 C LIG 1 -1.988 5.409 -0.341 0.00 0.00 +0.015 C ATOM 21 C LIG 1 -0.682 5.088 -1.062 0.00 0.00 +0.003 C ATOM 22 C LIG 1 -0.594 3.611 -1.448 0.00 0.00 +0.025 C BRANCH 19 23 ATOM 23 C LIG 1 -1.675 5.451 2.164 0.00 0.00 +0.308 C ATOM 24 O LIG 1 -0.857 6.355 2.109 0.00 0.00 -0.251 OA BRANCH 23 25 ATOM 25 O LIG 1 -2.248 5.066 3.328 0.00 0.00 -0.480 OA ATOM 26 H LIG 1 -2.872 4.321 3.246 0.00 0.00 +0.295 HD ENDBRANCH 23 25 ENDBRANCH 19 23 ENDBRANCH 11 17 BRANCH 1 28 ATOM 27 C LIG 1 7.693 -0.981 0.210 0.00 0.00 +0.282 C ATOM 28 O LIG 1 6.399 -1.497 0.528 0.00 0.00 -0.453 OA ENDBRANCH 1 28 BRANCH 10 29 ATOM 29 C LIG 1 -2.925 0.137 -1.039 0.00 0.00 +0.210 C BRANCH 29 30 ATOM 30 C LIG 1 -3.501 -1.218 -1.412 0.00 0.00 -0.006 A ATOM 31 C LIG 1 -3.357 -2.349 -0.585 0.00 0.00 +0.052 A ATOM 32 C LIG 1 -3.925 -3.584 -0.923 0.00 0.00 +0.123 A ATOM 33 C LIG 1 -4.656 -3.700 -2.102 0.00 0.00 +0.084 A ATOM 34 C LIG 1 -4.807 -2.586 -2.922 0.00 0.00 +0.127 A ATOM 35 F LIG 1 -5.516 -2.698 -4.053 0.00 0.00 -0.205 F ATOM 36 C LIG 1 -4.246 -1.357 -2.591 0.00 0.00 +0.045 A BRANCH 32 37 ATOM 37 O LIG 1 -3.699 -4.584 -0.018 0.00 0.00 -0.495 OA ATOM 38 C LIG 1 -4.179 -5.879 -0.356 0.00 0.00 +0.277 C ENDBRANCH 32 37 ENDBRANCH 29 30 BRANCH 29 39 ATOM 39 O LIG 1 -3.633 0.658 0.092 0.00 0.00 -0.379 OA ATOM 40 H LIG 1 -3.833 -0.106 0.661 0.00 0.00 +0.211 HD ENDBRANCH 29 39 ENDBRANCH 10 29 TORSDOF 8