REMARK Name = BDB064879 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.192 -0.298 -1.092 0.00 0.00 +0.000 C ENDROOT BRANCH 1 4 ATOM 2 N LIG 1 -1.720 0.602 0.348 0.00 0.00 +0.000 N ATOM 3 H LIG 1 -1.735 1.448 -0.268 0.00 0.00 +0.000 HD ATOM 4 C LIG 1 -0.824 -0.471 0.015 0.00 0.00 +0.000 C ATOM 5 O LIG 1 -0.884 -1.563 0.645 0.00 0.00 +0.000 OA BRANCH 2 6 ATOM 6 C LIG 1 -2.478 0.643 1.602 0.00 0.00 +0.000 C BRANCH 6 7 ATOM 7 B LIG 1 -4.045 0.801 1.286 0.00 0.00 +0.000 B ATOM 8 O LIG 1 -4.900 -0.375 1.347 0.00 0.00 +0.000 OA ATOM 9 C LIG 1 -5.348 -0.476 0.017 0.00 0.00 +0.000 C ATOM 10 C LIG 1 -5.115 0.955 -0.652 0.00 0.00 +0.000 C ATOM 11 C LIG 1 -6.436 1.693 -1.123 0.00 0.00 +0.000 C ATOM 12 C LIG 1 -7.731 0.891 -0.803 0.00 0.00 +0.000 C ATOM 13 C LIG 1 -7.611 -0.567 -1.289 0.00 0.00 +0.000 C ATOM 14 C LIG 1 -6.913 -0.815 -2.651 0.00 0.00 +0.000 C ATOM 15 C LIG 1 -8.988 -1.281 -1.328 0.00 0.00 +0.000 C ATOM 16 C LIG 1 -7.588 0.396 0.639 0.00 0.00 +0.000 C ATOM 17 C LIG 1 -4.532 -1.611 -0.651 0.00 0.00 +0.000 C ATOM 18 C LIG 1 -6.873 -0.837 0.053 0.00 0.00 +0.000 C ATOM 19 O LIG 1 -4.472 1.770 0.293 0.00 0.00 +0.000 OA ENDBRANCH 6 7 BRANCH 6 20 ATOM 20 C LIG 1 -1.954 1.808 2.468 0.00 0.00 +0.000 C BRANCH 20 22 ATOM 21 C LIG 1 -1.966 0.681 4.763 0.00 0.00 +0.000 C ATOM 22 C LIG 1 -2.514 1.838 3.913 0.00 0.00 +0.000 C ATOM 23 C LIG 1 -2.171 3.177 4.580 0.00 0.00 +0.000 C ENDBRANCH 20 22 ENDBRANCH 6 20 ENDBRANCH 2 6 ENDBRANCH 1 4 BRANCH 1 24 ATOM 24 C LIG 1 -0.306 -0.818 -2.485 0.00 0.00 +0.000 C ATOM 25 C LIG 1 0.794 -0.580 -3.543 0.00 0.00 +0.000 C ATOM 26 C LIG 1 -0.648 -2.325 -2.458 0.00 0.00 +0.000 C ATOM 27 C LIG 1 -1.562 -0.035 -2.925 0.00 0.00 +0.000 C ENDBRANCH 1 24 BRANCH 1 28 ATOM 28 N LIG 1 1.451 -0.949 -0.699 0.00 0.00 +0.000 N ATOM 29 H LIG 1 1.439 -1.976 -0.507 0.00 0.00 +0.000 HD ATOM 30 C LIG 1 2.666 -0.227 -0.441 0.00 0.00 +0.000 C ATOM 31 O LIG 1 2.659 1.035 -0.416 0.00 0.00 +0.000 OA BRANCH 30 32 ATOM 32 C LIG 1 3.929 -0.946 -0.161 0.00 0.00 +0.000 A ATOM 33 C LIG 1 4.245 -2.154 -0.813 0.00 0.00 +0.000 A ATOM 34 F LIG 1 3.429 -2.671 -1.766 0.00 0.00 +0.000 F ATOM 35 C LIG 1 5.436 -2.822 -0.515 0.00 0.00 +0.000 A ATOM 36 C LIG 1 6.328 -2.292 0.418 0.00 0.00 +0.000 A ATOM 37 C LIG 1 6.049 -1.070 1.051 0.00 0.00 +0.000 A ATOM 38 C LIG 1 4.842 -0.410 0.766 0.00 0.00 +0.000 A BRANCH 37 39 ATOM 39 C LIG 1 7.011 -0.498 2.064 0.00 0.00 +0.000 C BRANCH 39 40 ATOM 40 C LIG 1 8.396 -0.333 1.484 0.00 0.00 +0.000 A ATOM 41 C LIG 1 8.718 0.640 0.509 0.00 0.00 +0.000 A ATOM 42 C LIG 1 10.042 0.680 0.005 0.00 0.00 +0.000 A ATOM 43 C LIG 1 10.387 1.628 -0.977 0.00 0.00 +0.000 A ATOM 44 C LIG 1 9.434 2.532 -1.449 0.00 0.00 +0.000 A ATOM 45 C LIG 1 8.134 2.505 -0.947 0.00 0.00 +0.000 A ATOM 46 C LIG 1 10.986 -0.234 0.500 0.00 0.00 +0.000 A ATOM 47 O LIG 1 12.176 -0.227 0.081 0.00 0.00 +0.000 OA ATOM 48 N LIG 1 10.615 -1.135 1.446 0.00 0.00 +0.000 N ATOM 49 H LIG 1 11.316 -1.816 1.817 0.00 0.00 +0.000 HD ATOM 50 C LIG 1 7.775 1.571 0.027 0.00 0.00 +0.000 A ATOM 51 N LIG 1 9.368 -1.181 1.913 0.00 0.00 +0.000 NA ENDBRANCH 39 40 ENDBRANCH 37 39 ENDBRANCH 30 32 ENDBRANCH 1 28 TORSDOF 10