REMARK Name = BDB027238 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.423 1.008 -0.089 0.00 0.00 +0.053 A ATOM 2 C LIG 1 -1.429 0.237 -0.685 0.00 0.00 -0.003 A ATOM 3 C LIG 1 -2.507 0.886 -1.317 0.00 0.00 +0.035 A ATOM 4 C LIG 1 -2.568 2.279 -1.344 0.00 0.00 +0.071 A ATOM 5 N LIG 1 -1.607 3.036 -0.768 0.00 0.00 -0.253 NA ATOM 6 C LIG 1 -0.578 2.395 -0.163 0.00 0.00 +0.134 A ENDROOT BRANCH 4 7 ATOM 7 C LIG 1 -3.671 3.027 -1.977 0.00 0.00 +0.003 A ATOM 8 C LIG 1 -4.101 4.254 -1.437 0.00 0.00 +0.051 A ATOM 9 C LIG 1 -5.140 4.971 -2.022 0.00 0.00 +0.159 A ATOM 10 F LIG 1 -5.537 6.123 -1.471 0.00 0.00 -0.202 F ATOM 11 C LIG 1 -5.776 4.487 -3.155 0.00 0.00 +0.158 A ATOM 12 F LIG 1 -6.780 5.174 -3.720 0.00 0.00 -0.202 F ATOM 13 C LIG 1 -5.378 3.282 -3.714 0.00 0.00 +0.042 A ATOM 14 C LIG 1 -4.333 2.558 -3.128 0.00 0.00 +0.013 A ENDBRANCH 4 7 BRANCH 1 17 ATOM 15 C LIG 1 3.127 -0.210 0.331 0.00 0.00 +0.038 C ATOM 16 C LIG 1 1.830 0.253 -0.407 0.00 0.00 +0.127 C ATOM 17 N LIG 1 0.679 0.389 0.519 0.00 0.00 -0.327 N ATOM 18 C LIG 1 1.004 0.817 1.895 0.00 0.00 +0.105 C ATOM 19 C LIG 1 2.303 1.613 1.964 0.00 0.00 +0.021 C ATOM 20 C LIG 1 3.508 0.886 1.353 0.00 0.00 +0.025 C BRANCH 15 21 ATOM 21 N LIG 1 2.879 -1.471 1.078 0.00 0.00 -0.323 NA ATOM 22 H LIG 1 3.796 -1.881 1.306 0.00 0.00 +0.119 HD ATOM 23 H LIG 1 2.452 -2.152 0.458 0.00 0.00 +0.119 HD ENDBRANCH 15 21 BRANCH 15 24 ATOM 24 C LIG 1 4.246 -0.410 -0.733 0.00 0.00 +0.080 C BRANCH 24 28 ATOM 25 C LIG 1 7.635 -3.126 1.405 0.00 0.00 +0.172 C ATOM 26 N LIG 1 7.067 -1.967 0.758 0.00 0.00 -0.274 N ATOM 27 N LIG 1 5.771 -1.976 0.401 0.00 0.00 -0.176 NA ATOM 28 C LIG 1 5.587 -0.783 -0.182 0.00 0.00 +0.065 A ATOM 29 C LIG 1 6.776 -0.019 -0.192 0.00 0.00 +0.044 A ATOM 30 C LIG 1 7.711 -0.808 0.433 0.00 0.00 +0.108 A ENDBRANCH 24 28 ENDBRANCH 15 24 ENDBRANCH 1 17 BRANCH 2 31 ATOM 31 C LIG 1 -1.420 -1.272 -0.612 0.00 0.00 +0.161 C BRANCH 31 32 ATOM 32 N LIG 1 -2.347 -1.749 0.394 0.00 0.00 -0.310 N ATOM 33 C LIG 1 -3.582 -2.286 0.165 0.00 0.00 +0.166 A ATOM 34 C LIG 1 -4.072 -2.594 1.424 0.00 0.00 +0.147 A ATOM 35 C LIG 1 -5.353 -3.163 1.479 0.00 0.00 +0.147 A ATOM 36 N LIG 1 -6.004 -3.396 0.320 0.00 0.00 -0.219 NA ATOM 37 C LIG 1 -5.401 -3.042 -0.836 0.00 0.00 +0.225 A ATOM 38 N LIG 1 -3.155 -2.276 2.402 0.00 0.00 -0.231 NA ATOM 39 N LIG 1 -4.190 -2.478 -1.016 0.00 0.00 -0.216 NA ATOM 40 C LIG 1 -2.130 -1.772 1.744 0.00 0.00 +0.202 A BRANCH 35 41 ATOM 41 N LIG 1 -5.974 -3.518 2.670 0.00 0.00 -0.341 N ATOM 42 H LIG 1 -5.330 -3.627 3.444 0.00 0.00 +0.144 HD ATOM 43 H LIG 1 -6.691 -4.222 2.540 0.00 0.00 +0.144 HD ENDBRANCH 35 41 ENDBRANCH 31 32 ENDBRANCH 2 31 TORSDOF 8