REMARK Name = BDB035825 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.379 0.932 -0.150 0.00 0.00 -0.263 N ATOM 2 C LIG 1 0.825 1.589 0.123 0.00 0.00 +0.251 C ATOM 3 O LIG 1 1.078 2.541 0.838 0.00 0.00 -0.270 OA ATOM 4 C LIG 1 1.871 0.903 -0.647 0.00 0.00 +0.043 A ATOM 5 C LIG 1 3.223 1.187 -0.708 0.00 0.00 +0.018 A ATOM 6 C LIG 1 4.030 0.378 -1.520 0.00 0.00 -0.032 A ATOM 7 C LIG 1 3.441 -0.689 -2.243 0.00 0.00 +0.017 A ATOM 8 C LIG 1 2.060 -0.962 -2.172 0.00 0.00 +0.061 A ATOM 9 C LIG 1 1.289 -0.141 -1.355 0.00 0.00 -0.006 A ATOM 10 C LIG 1 -0.179 -0.179 -1.073 0.00 0.00 +0.150 C ENDROOT BRANCH 1 13 ATOM 11 C LIG 1 -4.095 0.766 0.522 0.00 0.00 -0.032 A ATOM 12 C LIG 1 -2.792 0.498 0.032 0.00 0.00 +0.028 A ATOM 13 C LIG 1 -1.660 1.263 0.371 0.00 0.00 +0.037 A ATOM 14 C LIG 1 -1.851 2.345 1.231 0.00 0.00 +0.023 A ATOM 15 C LIG 1 -3.118 2.650 1.730 0.00 0.00 +0.002 A ATOM 16 C LIG 1 -4.219 1.871 1.380 0.00 0.00 +0.005 A BRANCH 11 19 ATOM 17 C LIG 1 -7.185 -0.284 -1.021 0.00 0.00 +0.120 C ATOM 18 C LIG 1 -6.796 0.315 0.350 0.00 0.00 +0.051 C ATOM 19 C LIG 1 -5.329 -0.172 0.109 0.00 0.00 +0.060 C ATOM 20 C LIG 1 -5.699 -0.160 -1.416 0.00 0.00 +0.051 C BRANCH 19 21 ATOM 21 C LIG 1 -5.098 -1.638 0.682 0.00 0.00 +0.144 A ATOM 22 N LIG 1 -4.915 -2.008 1.987 0.00 0.00 -0.320 N ATOM 23 C LIG 1 -4.885 -1.169 3.153 0.00 0.00 +0.151 C ATOM 24 C LIG 1 -4.747 -3.358 1.974 0.00 0.00 +0.224 A ATOM 25 N LIG 1 -4.822 -3.798 0.741 0.00 0.00 -0.138 NA ATOM 26 N LIG 1 -5.040 -2.715 -0.075 0.00 0.00 -0.134 NA ENDBRANCH 19 21 BRANCH 17 28 ATOM 27 C LIG 1 -9.476 0.357 -1.485 0.00 0.00 +0.194 C ATOM 28 O LIG 1 -8.102 0.498 -1.815 0.00 0.00 -0.380 OA ENDBRANCH 17 28 ENDBRANCH 11 19 ENDBRANCH 1 13 BRANCH 8 29 ATOM 29 C LIG 1 1.438 -2.099 -2.937 0.00 0.00 +0.418 C ATOM 30 F LIG 1 2.315 -2.769 -3.733 0.00 0.00 -0.166 F ATOM 31 F LIG 1 0.431 -1.681 -3.752 0.00 0.00 -0.166 F ATOM 32 F LIG 1 0.888 -3.031 -2.112 0.00 0.00 -0.166 F ENDBRANCH 8 29 BRANCH 6 33 ATOM 33 C LIG 1 5.519 0.633 -1.616 0.00 0.00 +0.116 C BRANCH 33 34 ATOM 34 N LIG 1 6.318 -0.357 -0.894 0.00 0.00 -0.312 NA ATOM 35 H LIG 1 5.964 -1.288 -1.102 0.00 0.00 +0.122 HD BRANCH 34 36 ATOM 36 C LIG 1 6.342 -0.153 0.557 0.00 0.00 +0.087 C BRANCH 36 37 ATOM 37 C LIG 1 7.720 0.324 1.089 0.00 0.00 -0.025 C ATOM 38 C LIG 1 7.626 0.462 2.621 0.00 0.00 +0.012 C ATOM 39 C LIG 1 8.822 -0.698 0.756 0.00 0.00 +0.012 C ATOM 40 C LIG 1 8.104 1.692 0.499 0.00 0.00 +0.012 C ENDBRANCH 36 37 ENDBRANCH 34 36 ENDBRANCH 33 34 ENDBRANCH 6 33 TORSDOF 9