REMARK Name = BDB041010 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -3.420 -4.528 0.291 0.00 0.00 +0.000 C ATOM 2 C LIG 1 -2.132 -3.799 0.402 0.00 0.00 +0.000 A ATOM 3 C LIG 1 -1.904 -2.409 0.344 0.00 0.00 +0.000 A ATOM 4 C LIG 1 -2.833 -1.262 0.168 0.00 0.00 +0.000 C ATOM 5 C LIG 1 -2.101 0.044 0.540 0.00 0.00 +0.000 C ATOM 6 C LIG 1 -0.660 0.089 -0.030 0.00 0.00 +0.000 C ATOM 7 N LIG 1 0.142 -1.056 0.138 0.00 0.00 +0.000 N ATOM 8 O LIG 1 -0.230 1.130 -0.542 0.00 0.00 +0.000 OA ATOM 9 C LIG 1 -0.532 -2.258 0.416 0.00 0.00 +0.000 A ATOM 10 N LIG 1 -0.031 -3.524 0.723 0.00 0.00 +0.000 N ATOM 11 N LIG 1 -0.985 -4.475 0.516 0.00 0.00 +0.000 NA ENDROOT BRANCH 4 12 ATOM 12 C LIG 1 -3.369 -1.326 -1.260 0.00 0.00 +0.000 A ATOM 13 C LIG 1 -4.765 -1.285 -1.451 0.00 0.00 +0.000 A ATOM 14 C LIG 1 -5.317 -1.308 -2.733 0.00 0.00 +0.000 A ATOM 15 C LIG 1 -4.478 -1.367 -3.836 0.00 0.00 +0.000 A ATOM 16 F LIG 1 -5.006 -1.386 -5.067 0.00 0.00 +0.000 F ATOM 17 C LIG 1 -3.099 -1.402 -3.682 0.00 0.00 +0.000 A ATOM 18 C LIG 1 -2.545 -1.378 -2.400 0.00 0.00 +0.000 A ENDBRANCH 4 12 BRANCH 10 19 ATOM 19 C LIG 1 1.205 -3.909 1.311 0.00 0.00 +0.000 A ATOM 20 C LIG 1 1.653 -5.231 1.167 0.00 0.00 +0.000 A ATOM 21 C LIG 1 2.861 -5.629 1.743 0.00 0.00 +0.000 A ATOM 22 C LIG 1 3.615 -4.719 2.482 0.00 0.00 +0.000 A ATOM 23 C LIG 1 3.155 -3.415 2.662 0.00 0.00 +0.000 A ATOM 24 C LIG 1 1.947 -3.013 2.088 0.00 0.00 +0.000 A ENDBRANCH 10 19 BRANCH 5 25 ATOM 25 N LIG 1 -2.807 1.262 0.137 0.00 0.00 +0.000 N ATOM 26 H LIG 1 -2.268 1.930 -0.405 0.00 0.00 +0.000 HD ATOM 27 C LIG 1 -4.013 1.615 0.689 0.00 0.00 +0.000 C ATOM 28 O LIG 1 -4.582 0.933 1.534 0.00 0.00 +0.000 OA BRANCH 27 29 ATOM 29 C LIG 1 -4.610 2.896 0.226 0.00 0.00 +0.000 A ATOM 30 C LIG 1 -5.487 3.572 1.086 0.00 0.00 +0.000 A ATOM 31 C LIG 1 -6.088 4.779 0.693 0.00 0.00 +0.000 A ATOM 32 C LIG 1 -5.793 5.300 -0.577 0.00 0.00 +0.000 A ATOM 33 C LIG 1 -4.934 4.621 -1.442 0.00 0.00 +0.000 A ATOM 34 C LIG 1 -4.347 3.418 -1.047 0.00 0.00 +0.000 A BRANCH 31 35 ATOM 35 C LIG 1 -7.006 5.522 1.631 0.00 0.00 +0.000 C ATOM 36 F LIG 1 -6.344 6.458 2.366 0.00 0.00 +0.000 F ATOM 37 F LIG 1 -8.000 6.192 0.983 0.00 0.00 +0.000 F ATOM 38 F LIG 1 -7.630 4.712 2.530 0.00 0.00 +0.000 F ENDBRANCH 31 35 ENDBRANCH 27 29 ENDBRANCH 5 25 BRANCH 7 39 ATOM 39 C LIG 1 1.497 -1.003 -0.431 0.00 0.00 +0.000 C BRANCH 39 40 ATOM 40 C LIG 1 2.433 -0.014 0.279 0.00 0.00 +0.000 C BRANCH 40 41 ATOM 41 O LIG 1 3.781 -0.367 -0.028 0.00 0.00 +0.000 OA BRANCH 41 42 ATOM 42 SI LIG 1 5.048 0.539 0.594 0.00 0.00 +0.000 Si ATOM 43 C LIG 1 4.574 1.551 2.102 0.00 0.00 +0.000 C ATOM 44 C LIG 1 6.509 -0.566 1.018 0.00 0.00 +0.000 C BRANCH 42 45 ATOM 45 C LIG 1 5.685 1.863 -0.871 0.00 0.00 +0.000 C ATOM 46 C LIG 1 6.878 2.681 -0.338 0.00 0.00 +0.000 C ATOM 47 C LIG 1 6.111 1.057 -2.115 0.00 0.00 +0.000 C ATOM 48 C LIG 1 4.522 2.807 -1.236 0.00 0.00 +0.000 C ENDBRANCH 42 45 ENDBRANCH 41 42 ENDBRANCH 40 41 ENDBRANCH 39 40 ENDBRANCH 7 39 TORSDOF 10