REMARK Name = BDB035299 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.552 -0.152 -0.804 0.00 0.00 +0.142 A ATOM 2 N LIG 1 -1.583 1.078 -1.358 0.00 0.00 -0.234 NA ATOM 3 C LIG 1 -2.730 1.600 -1.860 0.00 0.00 +0.047 A ATOM 4 C LIG 1 -3.905 0.857 -1.823 0.00 0.00 +0.032 A ATOM 5 C LIG 1 -3.922 -0.411 -1.241 0.00 0.00 -0.012 A ATOM 6 C LIG 1 -2.718 -0.913 -0.731 0.00 0.00 +0.055 A ENDROOT BRANCH 1 14 ATOM 7 C LIG 1 3.918 -0.894 1.323 0.00 0.00 +0.033 A ATOM 8 N LIG 1 3.040 0.123 0.997 0.00 0.00 -0.351 N ATOM 9 H LIG 1 3.253 1.112 1.056 0.00 0.00 +0.166 HD ATOM 10 C LIG 1 1.871 -0.418 0.537 0.00 0.00 +0.131 A ATOM 11 C LIG 1 2.005 -1.772 0.582 0.00 0.00 +0.096 A ATOM 12 N LIG 1 1.001 -2.642 0.180 0.00 0.00 -0.235 NA ATOM 13 C LIG 1 -0.063 -2.021 -0.241 0.00 0.00 +0.209 A ATOM 14 N LIG 1 -0.306 -0.650 -0.307 0.00 0.00 -0.250 N ATOM 15 C LIG 1 0.690 0.256 0.092 0.00 0.00 +0.284 A ATOM 16 O LIG 1 0.615 1.479 0.144 0.00 0.00 -0.265 OA ATOM 17 C LIG 1 3.277 -2.099 1.069 0.00 0.00 +0.052 A BRANCH 7 18 ATOM 18 C LIG 1 5.281 -0.602 1.859 0.00 0.00 +0.137 C BRANCH 18 22 ATOM 19 C LIG 1 7.929 -0.932 -1.794 0.00 0.00 +0.009 C ATOM 20 C LIG 1 7.535 -0.725 -0.332 0.00 0.00 +0.000 C ATOM 21 C LIG 1 6.308 0.200 -0.226 0.00 0.00 +0.088 C ATOM 22 N LIG 1 5.904 0.527 1.154 0.00 0.00 -0.296 NA ATOM 23 C LIG 1 7.044 1.075 1.906 0.00 0.00 +0.085 C ATOM 24 C LIG 1 8.286 0.181 1.895 0.00 0.00 +0.016 C ATOM 25 C LIG 1 8.710 -0.154 0.469 0.00 0.00 +0.006 C ENDBRANCH 18 22 ENDBRANCH 7 18 ENDBRANCH 1 14 BRANCH 5 26 ATOM 26 C LIG 1 -5.165 -1.198 -1.156 0.00 0.00 -0.005 A ATOM 27 C LIG 1 -6.301 -0.772 -0.433 0.00 0.00 +0.047 A ATOM 28 C LIG 1 -7.465 -1.547 -0.369 0.00 0.00 +0.052 A ATOM 29 C LIG 1 -7.499 -2.767 -1.025 0.00 0.00 +0.124 A ATOM 30 F LIG 1 -8.606 -3.518 -0.965 0.00 0.00 -0.205 F ATOM 31 C LIG 1 -6.401 -3.223 -1.743 0.00 0.00 +0.039 A ATOM 32 C LIG 1 -5.242 -2.444 -1.809 0.00 0.00 +0.012 A BRANCH 27 33 ATOM 33 C LIG 1 -6.318 0.516 0.286 0.00 0.00 +0.247 C ATOM 34 N LIG 1 -6.014 0.466 1.619 0.00 0.00 -0.292 N ATOM 35 C LIG 1 -5.609 1.578 2.466 0.00 0.00 +0.146 C ATOM 36 C LIG 1 -5.274 0.525 3.536 0.00 0.00 +0.200 C ATOM 37 F LIG 1 -4.090 0.669 4.175 0.00 0.00 -0.242 F ATOM 38 C LIG 1 -5.311 -0.527 2.412 0.00 0.00 +0.146 C ATOM 39 O LIG 1 -6.629 1.536 -0.318 0.00 0.00 -0.270 OA ENDBRANCH 27 33 ENDBRANCH 5 26 BRANCH 3 40 ATOM 40 C LIG 1 -2.643 2.999 -2.437 0.00 0.00 +0.038 C ATOM 41 C LIG 1 -3.444 3.420 -3.645 0.00 0.00 +0.010 C ATOM 42 C LIG 1 -3.776 3.987 -2.293 0.00 0.00 +0.010 C ENDBRANCH 3 40 TORSDOF 6