REMARK Name = BDB035837 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -3.375 0.746 -0.791 0.00 0.00 -0.032 A ATOM 2 C LIG 1 -2.720 0.337 -1.979 0.00 0.00 +0.017 A ATOM 3 C LIG 1 -1.319 0.208 -2.049 0.00 0.00 +0.061 A ATOM 4 C LIG 1 -0.596 0.492 -0.894 0.00 0.00 -0.006 A ATOM 5 C LIG 1 0.879 0.440 -0.653 0.00 0.00 +0.150 C ATOM 6 N LIG 1 1.011 0.841 0.743 0.00 0.00 -0.263 N ATOM 7 C LIG 1 -0.237 1.106 1.316 0.00 0.00 +0.251 C ATOM 8 O LIG 1 -0.549 1.450 2.441 0.00 0.00 -0.270 OA ATOM 9 C LIG 1 -1.243 0.886 0.270 0.00 0.00 +0.043 A ATOM 10 C LIG 1 -2.618 1.021 0.355 0.00 0.00 +0.018 A ENDROOT BRANCH 6 11 ATOM 11 C LIG 1 2.276 0.934 1.387 0.00 0.00 +0.037 A ATOM 12 C LIG 1 3.459 0.619 0.695 0.00 0.00 +0.028 A ATOM 13 C LIG 1 4.750 0.681 1.279 0.00 0.00 -0.032 A ATOM 14 C LIG 1 4.804 1.094 2.620 0.00 0.00 +0.005 A ATOM 15 C LIG 1 3.649 1.418 3.330 0.00 0.00 +0.002 A ATOM 16 C LIG 1 2.398 1.336 2.718 0.00 0.00 +0.023 A BRANCH 13 17 ATOM 17 C LIG 1 6.050 0.281 0.428 0.00 0.00 +0.060 C ATOM 18 C LIG 1 6.364 1.209 -0.798 0.00 0.00 +0.051 C ATOM 19 C LIG 1 7.868 1.014 -0.512 0.00 0.00 +0.120 C ATOM 20 C LIG 1 7.473 0.678 0.944 0.00 0.00 +0.051 C BRANCH 17 21 ATOM 21 C LIG 1 5.974 -1.258 0.034 0.00 0.00 +0.144 A ATOM 22 N LIG 1 5.891 -2.335 0.874 0.00 0.00 -0.320 N ATOM 23 C LIG 1 5.851 -2.340 2.310 0.00 0.00 +0.151 C ATOM 24 C LIG 1 5.835 -3.433 0.071 0.00 0.00 +0.224 A ATOM 25 N LIG 1 5.879 -3.060 -1.186 0.00 0.00 -0.138 NA ATOM 26 N LIG 1 5.963 -1.689 -1.211 0.00 0.00 -0.134 NA ENDBRANCH 17 21 BRANCH 19 27 ATOM 27 O LIG 1 8.708 2.178 -0.661 0.00 0.00 -0.380 OA ATOM 28 C LIG 1 9.036 2.528 -1.999 0.00 0.00 +0.194 C ENDBRANCH 19 27 ENDBRANCH 13 17 ENDBRANCH 6 11 BRANCH 3 29 ATOM 29 C LIG 1 -0.629 -0.239 -3.309 0.00 0.00 +0.418 C ATOM 30 F LIG 1 0.360 0.619 -3.685 0.00 0.00 -0.166 F ATOM 31 F LIG 1 -1.458 -0.349 -4.382 0.00 0.00 -0.166 F ATOM 32 F LIG 1 -0.032 -1.453 -3.164 0.00 0.00 -0.166 F ENDBRANCH 3 29 BRANCH 1 33 ATOM 33 C LIG 1 -4.883 0.854 -0.761 0.00 0.00 +0.116 C BRANCH 33 34 ATOM 34 N LIG 1 -5.478 -0.482 -0.781 0.00 0.00 -0.306 NA ATOM 35 H LIG 1 -5.175 -0.991 0.048 0.00 0.00 +0.123 HD BRANCH 34 36 ATOM 36 C LIG 1 -6.940 -0.462 -0.998 0.00 0.00 +0.022 C ATOM 37 C LIG 1 -7.218 -0.274 -2.521 0.00 0.00 +0.022 C ATOM 38 C LIG 1 -7.111 -1.801 -2.699 0.00 0.00 +0.004 C ATOM 39 C LIG 1 -7.390 -1.944 -1.191 0.00 0.00 +0.022 C BRANCH 36 40 ATOM 40 C LIG 1 -7.765 0.370 -0.028 0.00 0.00 +0.050 C BRANCH 40 41 ATOM 41 C LIG 1 -7.645 -0.118 1.412 0.00 0.00 +0.161 C BRANCH 41 43 ATOM 42 C LIG 1 -8.414 0.318 3.598 0.00 0.00 +0.193 C ATOM 43 O LIG 1 -8.465 0.713 2.233 0.00 0.00 -0.383 OA ENDBRANCH 41 43 ENDBRANCH 40 41 ENDBRANCH 36 40 ENDBRANCH 34 36 ENDBRANCH 33 34 ENDBRANCH 1 33 TORSDOF 11