REMARK Name = BDB035783 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -3.406 -0.684 0.301 0.00 0.00 -0.032 A ATOM 2 C LIG 1 -2.800 -1.651 -0.539 0.00 0.00 +0.017 A ATOM 3 C LIG 1 -1.408 -1.689 -0.744 0.00 0.00 +0.061 A ATOM 4 C LIG 1 -0.642 -0.728 -0.089 0.00 0.00 -0.006 A ATOM 5 C LIG 1 0.835 -0.508 -0.112 0.00 0.00 +0.150 C ATOM 6 N LIG 1 1.026 0.643 0.761 0.00 0.00 -0.263 N ATOM 7 C LIG 1 -0.195 1.097 1.273 0.00 0.00 +0.251 C ATOM 8 O LIG 1 -0.461 2.017 2.024 0.00 0.00 -0.270 OA ATOM 9 C LIG 1 -1.241 0.221 0.729 0.00 0.00 +0.043 A ATOM 10 C LIG 1 -2.607 0.272 0.942 0.00 0.00 +0.018 A ENDROOT BRANCH 6 11 ATOM 11 C LIG 1 2.312 1.197 1.021 0.00 0.00 +0.037 A ATOM 12 C LIG 1 3.466 0.640 0.437 0.00 0.00 +0.029 A ATOM 13 C LIG 1 4.754 1.168 0.669 0.00 0.00 -0.021 A ATOM 14 C LIG 1 4.874 2.270 1.527 0.00 0.00 +0.006 A ATOM 15 C LIG 1 3.746 2.833 2.115 0.00 0.00 +0.002 A ATOM 16 C LIG 1 2.479 2.302 1.860 0.00 0.00 +0.023 A BRANCH 13 17 ATOM 17 C LIG 1 6.022 0.578 0.057 0.00 0.00 +0.146 C BRANCH 17 18 ATOM 18 N LIG 1 6.604 -0.455 0.915 0.00 0.00 -0.244 N ATOM 19 N LIG 1 7.940 -0.495 1.083 0.00 0.00 -0.065 NA ATOM 20 N LIG 1 8.219 -1.546 1.842 0.00 0.00 -0.138 NA ATOM 21 C LIG 1 7.046 -2.177 2.137 0.00 0.00 +0.156 A ATOM 22 C LIG 1 6.003 -1.508 1.543 0.00 0.00 +0.130 A ENDBRANCH 17 18 BRANCH 17 23 ATOM 23 C LIG 1 5.806 0.063 -1.359 0.00 0.00 +0.069 C ATOM 24 C LIG 1 5.467 1.112 -2.428 0.00 0.00 +0.168 C ATOM 25 O LIG 1 6.497 0.594 -3.303 0.00 0.00 -0.379 OA ATOM 26 C LIG 1 7.078 -0.144 -2.197 0.00 0.00 +0.168 C ENDBRANCH 17 23 ENDBRANCH 13 17 ENDBRANCH 6 11 BRANCH 3 27 ATOM 27 C LIG 1 -0.766 -2.710 -1.643 0.00 0.00 +0.418 C ATOM 28 F LIG 1 -1.630 -3.632 -2.143 0.00 0.00 -0.166 F ATOM 29 F LIG 1 0.209 -3.414 -1.001 0.00 0.00 -0.166 F ATOM 30 F LIG 1 -0.156 -2.136 -2.716 0.00 0.00 -0.166 F ENDBRANCH 3 27 BRANCH 1 31 ATOM 31 C LIG 1 -4.910 -0.671 0.478 0.00 0.00 +0.116 C BRANCH 31 32 ATOM 32 N LIG 1 -5.556 -0.198 -0.747 0.00 0.00 -0.307 NA ATOM 33 H LIG 1 -5.116 0.681 -1.020 0.00 0.00 +0.123 HD BRANCH 32 35 ATOM 34 C LIG 1 -7.718 -1.435 -0.344 0.00 0.00 +0.027 C ATOM 35 C LIG 1 -7.020 -0.113 -0.607 0.00 0.00 +0.017 C ATOM 36 C LIG 1 -7.405 1.129 0.247 0.00 0.00 +0.022 C ATOM 37 C LIG 1 -8.417 1.498 -0.858 0.00 0.00 +0.004 C ATOM 38 C LIG 1 -7.553 0.678 -1.840 0.00 0.00 +0.022 C ENDBRANCH 32 35 ENDBRANCH 31 32 ENDBRANCH 1 31 TORSDOF 8