REMARK Name = BDB014928 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -5.582 5.474 2.721 0.00 0.00 +0.129 C ATOM 2 N LIG 1 -5.105 4.461 1.810 0.00 0.00 -0.302 N ATOM 3 H LIG 1 -5.410 4.571 0.857 0.00 0.00 +0.150 HD ATOM 4 C LIG 1 -3.827 3.982 1.949 0.00 0.00 +0.302 C ATOM 5 N LIG 1 -3.451 3.007 1.039 0.00 0.00 -0.281 N ATOM 6 C LIG 1 -2.010 2.689 1.014 0.00 0.00 +0.149 C ATOM 7 C LIG 1 -1.749 1.386 0.348 0.00 0.00 +0.032 A ATOM 8 C LIG 1 -0.544 0.659 0.160 0.00 0.00 +0.150 A ATOM 9 N LIG 1 -0.780 -0.471 -0.515 0.00 0.00 -0.155 NA ATOM 10 N LIG 1 -2.109 -0.491 -0.729 0.00 0.00 -0.263 N ATOM 11 C LIG 1 -2.725 0.623 -0.253 0.00 0.00 +0.048 A ATOM 12 C LIG 1 -4.158 0.987 -0.309 0.00 0.00 +0.074 C ATOM 13 C LIG 1 -4.294 2.506 -0.071 0.00 0.00 +0.116 C ATOM 14 O LIG 1 -3.075 4.390 2.831 0.00 0.00 -0.253 OA ENDROOT BRANCH 10 15 ATOM 15 C LIG 1 -2.709 -1.623 -1.422 0.00 0.00 +0.112 C ATOM 16 C LIG 1 -2.302 -2.967 -0.815 0.00 0.00 +0.055 C ATOM 17 C LIG 1 -3.015 -4.110 -1.531 0.00 0.00 +0.162 C ATOM 18 O LIG 1 -3.420 -3.768 -2.859 0.00 0.00 -0.380 OA ATOM 19 C LIG 1 -2.447 -2.980 -3.537 0.00 0.00 +0.162 C ATOM 20 C LIG 1 -2.405 -1.585 -2.926 0.00 0.00 +0.055 C ENDBRANCH 10 15 BRANCH 8 21 ATOM 21 N LIG 1 0.649 1.107 0.618 0.00 0.00 -0.295 N ATOM 22 H LIG 1 0.665 1.976 1.145 0.00 0.00 +0.154 HD BRANCH 21 23 ATOM 23 C LIG 1 1.949 0.555 0.543 0.00 0.00 +0.069 A ATOM 24 C LIG 1 3.011 1.262 1.126 0.00 0.00 +0.145 A ATOM 25 F LIG 1 2.758 2.430 1.738 0.00 0.00 -0.204 F ATOM 26 C LIG 1 4.323 0.796 1.095 0.00 0.00 +0.050 A ATOM 27 C LIG 1 4.621 -0.421 0.468 0.00 0.00 +0.005 A ATOM 28 C LIG 1 3.576 -1.146 -0.135 0.00 0.00 +0.061 A ATOM 29 C LIG 1 2.257 -0.653 -0.090 0.00 0.00 +0.045 A BRANCH 27 30 ATOM 30 C LIG 1 6.004 -0.864 0.459 0.00 0.00 +0.021 A ATOM 31 C LIG 1 6.444 -2.108 0.861 0.00 0.00 +0.116 A ATOM 32 N LIG 1 7.801 -2.099 0.709 0.00 0.00 -0.274 N ATOM 33 C LIG 1 8.711 -3.187 0.969 0.00 0.00 +0.172 C ATOM 34 N LIG 1 8.283 -0.919 0.279 0.00 0.00 -0.179 NA ATOM 35 C LIG 1 7.189 -0.170 0.126 0.00 0.00 +0.142 A ENDBRANCH 27 30 BRANCH 28 36 ATOM 36 C LIG 1 3.800 -2.385 -0.827 0.00 0.00 +0.100 C ATOM 37 N LIG 1 3.959 -3.394 -1.379 0.00 0.00 -0.191 NA ENDBRANCH 28 36 ENDBRANCH 21 23 ENDBRANCH 8 21 TORSDOF 5