REMARK Name = BDB035457 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.642 0.732 -1.483 0.00 0.00 -0.263 N ATOM 2 C LIG 1 0.056 -0.228 -0.742 0.00 0.00 +0.251 C ATOM 3 O LIG 1 -0.335 -1.103 0.007 0.00 0.00 -0.270 OA ATOM 4 C LIG 1 1.484 -0.032 -1.024 0.00 0.00 +0.043 A ATOM 5 C LIG 1 2.569 -0.726 -0.520 0.00 0.00 +0.018 A ATOM 6 C LIG 1 3.849 -0.352 -0.954 0.00 0.00 -0.032 A ATOM 7 C LIG 1 3.992 0.721 -1.867 0.00 0.00 +0.017 A ATOM 8 C LIG 1 2.875 1.419 -2.369 0.00 0.00 +0.061 A ATOM 9 C LIG 1 1.618 1.015 -1.927 0.00 0.00 -0.006 A ATOM 10 C LIG 1 0.267 1.551 -2.273 0.00 0.00 +0.150 C ENDROOT BRANCH 1 13 ATOM 11 C LIG 1 -4.327 0.325 -0.751 0.00 0.00 -0.032 A ATOM 12 C LIG 1 -2.922 0.158 -0.718 0.00 0.00 +0.028 A ATOM 13 C LIG 1 -2.052 0.919 -1.514 0.00 0.00 +0.037 A ATOM 14 C LIG 1 -2.622 1.886 -2.354 0.00 0.00 +0.023 A ATOM 15 C LIG 1 -4.004 2.077 -2.400 0.00 0.00 +0.002 A ATOM 16 C LIG 1 -4.850 1.304 -1.607 0.00 0.00 +0.005 A BRANCH 11 17 ATOM 17 C LIG 1 -5.215 -0.546 0.155 0.00 0.00 +0.061 C ATOM 18 C LIG 1 -6.724 -0.494 -0.172 0.00 0.00 +0.094 C ATOM 19 C LIG 1 -7.286 -1.790 0.383 0.00 0.00 +0.250 C ATOM 20 F LIG 1 -8.354 -2.183 -0.347 0.00 0.00 -0.206 F ATOM 21 F LIG 1 -7.723 -1.607 1.648 0.00 0.00 -0.206 F ATOM 22 C LIG 1 -6.177 -2.821 0.330 0.00 0.00 +0.077 C ATOM 23 C LIG 1 -4.941 -2.051 -0.144 0.00 0.00 +0.025 C BRANCH 17 26 ATOM 24 C LIG 1 -5.198 2.290 1.658 0.00 0.00 +0.151 C ATOM 25 N LIG 1 -4.982 0.992 2.236 0.00 0.00 -0.320 N ATOM 26 C LIG 1 -4.975 -0.243 1.628 0.00 0.00 +0.144 A ATOM 27 N LIG 1 -4.731 -1.148 2.561 0.00 0.00 -0.134 NA ATOM 28 N LIG 1 -4.577 -0.514 3.766 0.00 0.00 -0.138 NA ATOM 29 C LIG 1 -4.726 0.769 3.556 0.00 0.00 +0.224 A ENDBRANCH 17 26 ENDBRANCH 11 17 ENDBRANCH 1 13 BRANCH 8 30 ATOM 30 C LIG 1 3.024 2.558 -3.341 0.00 0.00 +0.418 C ATOM 31 F LIG 1 4.312 2.822 -3.687 0.00 0.00 -0.166 F ATOM 32 F LIG 1 2.518 3.722 -2.849 0.00 0.00 -0.166 F ATOM 33 F LIG 1 2.358 2.330 -4.506 0.00 0.00 -0.166 F ENDBRANCH 8 30 BRANCH 6 34 ATOM 34 C LIG 1 5.070 -1.066 -0.412 0.00 0.00 +0.116 C BRANCH 34 35 ATOM 35 N LIG 1 5.437 -0.519 0.893 0.00 0.00 -0.307 NA ATOM 36 H LIG 1 5.458 0.498 0.828 0.00 0.00 +0.123 HD BRANCH 35 37 ATOM 37 C LIG 1 6.675 -1.117 1.422 0.00 0.00 +0.017 C ATOM 38 C LIG 1 7.113 -0.258 2.647 0.00 0.00 +0.022 C ATOM 39 C LIG 1 8.542 -0.273 2.063 0.00 0.00 +0.004 C ATOM 40 C LIG 1 7.910 -0.532 0.679 0.00 0.00 +0.022 C ATOM 41 C LIG 1 6.607 -2.612 1.678 0.00 0.00 +0.027 C ENDBRANCH 35 37 ENDBRANCH 34 35 ENDBRANCH 6 34 TORSDOF 7