REMARK Name = BDB027376 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.743 1.493 -1.043 0.00 0.00 +0.053 A ATOM 2 C LIG 1 -2.046 0.977 -1.104 0.00 0.00 -0.003 A ATOM 3 C LIG 1 -3.109 1.746 -0.593 0.00 0.00 +0.035 A ATOM 4 C LIG 1 -2.862 2.997 -0.027 0.00 0.00 +0.071 A ATOM 5 N LIG 1 -1.607 3.494 0.057 0.00 0.00 -0.253 NA ATOM 6 C LIG 1 -0.597 2.748 -0.450 0.00 0.00 +0.134 A ENDROOT BRANCH 4 7 ATOM 7 C LIG 1 -3.926 3.856 0.531 0.00 0.00 +0.003 A ATOM 8 C LIG 1 -3.659 4.695 1.632 0.00 0.00 +0.051 A ATOM 9 C LIG 1 -4.653 5.509 2.170 0.00 0.00 +0.159 A ATOM 10 F LIG 1 -4.367 6.289 3.222 0.00 0.00 -0.202 F ATOM 11 C LIG 1 -5.929 5.513 1.626 0.00 0.00 +0.158 A ATOM 12 F LIG 1 -6.885 6.295 2.144 0.00 0.00 -0.202 F ATOM 13 C LIG 1 -6.224 4.706 0.535 0.00 0.00 +0.042 A ATOM 14 C LIG 1 -5.229 3.885 -0.009 0.00 0.00 +0.013 A ENDBRANCH 4 7 BRANCH 1 17 ATOM 15 C LIG 1 2.418 -0.580 -1.134 0.00 0.00 +0.075 C ATOM 16 C LIG 1 1.162 0.114 -0.513 0.00 0.00 +0.133 C ATOM 17 N LIG 1 0.327 0.756 -1.563 0.00 0.00 -0.326 N ATOM 18 C LIG 1 1.079 1.415 -2.654 0.00 0.00 +0.105 C ATOM 19 C LIG 1 2.517 1.744 -2.257 0.00 0.00 +0.021 C ATOM 20 C LIG 1 3.317 0.542 -1.724 0.00 0.00 +0.031 C BRANCH 15 23 ATOM 21 C LIG 1 4.622 -1.426 1.760 0.00 0.00 +0.125 A ATOM 22 N LIG 1 4.033 -0.747 0.741 0.00 0.00 -0.245 NA ATOM 23 C LIG 1 3.101 -1.381 -0.010 0.00 0.00 +0.063 A ATOM 24 C LIG 1 2.717 -2.695 0.279 0.00 0.00 +0.025 A ATOM 25 C LIG 1 3.329 -3.378 1.328 0.00 0.00 +0.004 A ATOM 26 C LIG 1 4.305 -2.738 2.082 0.00 0.00 +0.033 A BRANCH 21 30 ATOM 27 N LIG 1 5.833 -1.008 3.857 0.00 0.00 -0.324 N ATOM 28 H LIG 1 5.112 -1.490 4.375 0.00 0.00 +0.145 HD ATOM 29 H LIG 1 6.425 -0.374 4.381 0.00 0.00 +0.145 HD ATOM 30 C LIG 1 5.657 -0.666 2.537 0.00 0.00 +0.260 C ATOM 31 O LIG 1 6.316 0.246 2.051 0.00 0.00 -0.269 OA ENDBRANCH 21 30 ENDBRANCH 15 23 BRANCH 15 32 ATOM 32 N LIG 1 2.056 -1.438 -2.298 0.00 0.00 -0.319 NA ATOM 33 H LIG 1 1.153 -1.883 -2.132 0.00 0.00 +0.119 HD ATOM 34 H LIG 1 2.765 -2.152 -2.439 0.00 0.00 +0.119 HD ENDBRANCH 15 32 ENDBRANCH 1 17 BRANCH 2 35 ATOM 35 C LIG 1 -2.327 -0.384 -1.698 0.00 0.00 +0.161 C BRANCH 35 36 ATOM 36 N LIG 1 -2.053 -1.476 -0.776 0.00 0.00 -0.310 N ATOM 37 C LIG 1 -1.441 -2.659 -1.098 0.00 0.00 +0.166 A ATOM 38 C LIG 1 -1.460 -3.401 0.073 0.00 0.00 +0.147 A ATOM 39 C LIG 1 -0.882 -4.680 0.020 0.00 0.00 +0.147 A ATOM 40 N LIG 1 -0.339 -5.097 -1.147 0.00 0.00 -0.219 NA ATOM 41 C LIG 1 -0.416 -4.279 -2.218 0.00 0.00 +0.225 A ATOM 42 N LIG 1 -2.057 -2.693 1.094 0.00 0.00 -0.231 NA ATOM 43 N LIG 1 -0.929 -3.035 -2.282 0.00 0.00 -0.216 NA ATOM 44 C LIG 1 -2.417 -1.552 0.544 0.00 0.00 +0.202 A BRANCH 39 45 ATOM 45 N LIG 1 -0.825 -5.531 1.111 0.00 0.00 -0.341 N ATOM 46 H LIG 1 -0.974 -5.086 2.009 0.00 0.00 +0.144 HD ATOM 47 H LIG 1 -0.137 -6.265 1.029 0.00 0.00 +0.144 HD ENDBRANCH 39 45 ENDBRANCH 35 36 ENDBRANCH 2 35 TORSDOF 8