REMARK Name = BDB035844 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.395 -0.159 -0.899 0.00 0.00 -0.263 N ATOM 2 C LIG 1 0.623 -0.488 -1.800 0.00 0.00 +0.251 C ATOM 3 O LIG 1 0.612 -1.172 -2.808 0.00 0.00 -0.270 OA ATOM 4 C LIG 1 1.844 0.178 -1.327 0.00 0.00 +0.043 A ATOM 5 C LIG 1 3.111 0.155 -1.879 0.00 0.00 +0.018 A ATOM 6 C LIG 1 4.129 0.875 -1.235 0.00 0.00 -0.032 A ATOM 7 C LIG 1 3.821 1.611 -0.066 0.00 0.00 +0.017 A ATOM 8 C LIG 1 2.525 1.623 0.486 0.00 0.00 +0.061 A ATOM 9 C LIG 1 1.543 0.889 -0.173 0.00 0.00 -0.006 A ATOM 10 C LIG 1 0.096 0.713 0.160 0.00 0.00 +0.150 C ENDROOT BRANCH 1 13 ATOM 11 C LIG 1 -4.049 -0.539 0.004 0.00 0.00 -0.032 A ATOM 12 C LIG 1 -2.681 -0.160 0.005 0.00 0.00 +0.028 A ATOM 13 C LIG 1 -1.749 -0.593 -0.956 0.00 0.00 +0.037 A ATOM 14 C LIG 1 -2.208 -1.454 -1.952 0.00 0.00 +0.023 A ATOM 15 C LIG 1 -3.540 -1.868 -1.982 0.00 0.00 +0.002 A ATOM 16 C LIG 1 -4.442 -1.417 -1.019 0.00 0.00 +0.005 A BRANCH 11 19 ATOM 17 C LIG 1 -6.092 -1.476 2.295 0.00 0.00 +0.120 C ATOM 18 C LIG 1 -6.534 -0.470 1.213 0.00 0.00 +0.051 C ATOM 19 C LIG 1 -5.056 0.037 1.128 0.00 0.00 +0.060 C ATOM 20 C LIG 1 -4.875 -0.569 2.563 0.00 0.00 +0.051 C BRANCH 19 21 ATOM 21 C LIG 1 -5.005 1.622 1.112 0.00 0.00 +0.144 A ATOM 22 N LIG 1 -5.348 2.451 0.079 0.00 0.00 -0.320 N ATOM 23 C LIG 1 -5.834 2.085 -1.222 0.00 0.00 +0.151 C ATOM 24 C LIG 1 -5.108 3.716 0.518 0.00 0.00 +0.224 A ATOM 25 N LIG 1 -4.644 3.674 1.745 0.00 0.00 -0.138 NA ATOM 26 N LIG 1 -4.572 2.353 2.118 0.00 0.00 -0.134 NA ENDBRANCH 19 21 BRANCH 17 28 ATOM 27 C LIG 1 -6.891 -3.691 1.694 0.00 0.00 +0.194 C ATOM 28 O LIG 1 -5.785 -2.811 1.837 0.00 0.00 -0.380 OA ENDBRANCH 17 28 ENDBRANCH 11 19 ENDBRANCH 1 13 BRANCH 8 29 ATOM 29 C LIG 1 2.203 2.408 1.730 0.00 0.00 +0.418 C ATOM 30 F LIG 1 3.293 2.979 2.312 0.00 0.00 -0.166 F ATOM 31 F LIG 1 1.626 1.636 2.692 0.00 0.00 -0.166 F ATOM 32 F LIG 1 1.329 3.420 1.487 0.00 0.00 -0.166 F ENDBRANCH 8 29 BRANCH 6 33 ATOM 33 C LIG 1 5.530 0.898 -1.806 0.00 0.00 +0.116 C BRANCH 33 34 ATOM 34 N LIG 1 6.065 -0.427 -2.103 0.00 0.00 -0.311 NA ATOM 35 H LIG 1 6.919 -0.329 -2.656 0.00 0.00 +0.122 HD BRANCH 34 36 ATOM 36 C LIG 1 6.338 -1.270 -0.944 0.00 0.00 +0.093 C BRANCH 36 37 ATOM 37 C LIG 1 7.514 -0.830 -0.101 0.00 0.00 +0.049 C ATOM 38 C LIG 1 8.794 -0.431 -0.762 0.00 0.00 +0.256 C ATOM 39 F LIG 1 8.903 -0.368 -2.132 0.00 0.00 -0.205 F ATOM 40 F LIG 1 9.564 0.586 -0.246 0.00 0.00 -0.205 F ATOM 41 C LIG 1 8.743 -1.742 -0.084 0.00 0.00 +0.089 C ATOM 42 C LIG 1 7.156 -0.163 1.201 0.00 0.00 +0.018 C ENDBRANCH 36 37 ENDBRANCH 34 36 ENDBRANCH 33 34 ENDBRANCH 6 33 TORSDOF 9