REMARK Name = BDB011437 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.837 -1.248 0.022 0.00 0.00 +0.073 A ATOM 2 N LIG 1 0.564 -1.022 -0.384 0.00 0.00 -0.243 NA ATOM 3 C LIG 1 -0.213 -2.024 -0.869 0.00 0.00 +0.114 A ATOM 4 C LIG 1 0.318 -3.324 -1.024 0.00 0.00 +0.091 A ATOM 5 N LIG 1 -0.350 -4.360 -1.556 0.00 0.00 -0.253 NA ATOM 6 C LIG 1 -1.591 -4.127 -2.018 0.00 0.00 +0.127 A ATOM 7 C LIG 1 -2.204 -2.894 -1.920 0.00 0.00 +0.083 A ATOM 8 C LIG 1 -3.514 -2.694 -2.533 0.00 0.00 +0.263 A ATOM 9 N LIG 1 -3.918 -1.396 -2.639 0.00 0.00 -0.274 N ATOM 10 H LIG 1 -4.844 -1.254 -3.019 0.00 0.00 +0.173 HD ATOM 11 C LIG 1 -3.492 -0.383 -1.823 0.00 0.00 +0.334 A ATOM 12 N LIG 1 -2.294 -0.599 -1.133 0.00 0.00 -0.260 N ATOM 13 O LIG 1 -4.216 0.607 -1.716 0.00 0.00 -0.246 OA ATOM 14 O LIG 1 -4.192 -3.635 -2.923 0.00 0.00 -0.267 OA ATOM 15 C LIG 1 1.622 -3.539 -0.618 0.00 0.00 +0.032 A ATOM 16 C LIG 1 -1.556 -1.835 -1.280 0.00 0.00 +0.093 A ATOM 17 C LIG 1 2.395 -2.509 -0.087 0.00 0.00 +0.030 A ENDROOT BRANCH 1 21 ATOM 18 C LIG 1 3.771 2.222 1.565 0.00 0.00 +0.116 A ATOM 19 N LIG 1 2.758 2.355 0.701 0.00 0.00 -0.240 NA ATOM 20 C LIG 1 2.173 1.221 0.234 0.00 0.00 +0.123 A ATOM 21 C LIG 1 2.543 -0.080 0.577 0.00 0.00 +0.019 A ATOM 22 C LIG 1 3.603 -0.176 1.486 0.00 0.00 +0.015 A ATOM 23 C LIG 1 4.221 0.977 1.981 0.00 0.00 +0.044 A BRANCH 18 24 ATOM 24 N LIG 1 4.373 3.386 2.048 0.00 0.00 -0.343 N ATOM 25 H LIG 1 4.291 3.424 3.058 0.00 0.00 +0.144 HD ATOM 26 H LIG 1 5.357 3.392 1.804 0.00 0.00 +0.144 HD ENDBRANCH 18 24 ENDBRANCH 1 21 BRANCH 12 27 ATOM 27 C LIG 1 -1.909 0.357 -0.138 0.00 0.00 +0.052 A ATOM 28 C LIG 1 -1.870 1.724 -0.451 0.00 0.00 +0.038 A ATOM 29 C LIG 1 -1.516 2.684 0.514 0.00 0.00 +0.057 A ATOM 30 C LIG 1 -1.229 2.261 1.819 0.00 0.00 +0.012 A ATOM 31 C LIG 1 -1.295 0.909 2.152 0.00 0.00 +0.003 A ATOM 32 C LIG 1 -1.641 -0.035 1.183 0.00 0.00 +0.026 A BRANCH 29 33 ATOM 33 C LIG 1 -1.478 4.145 0.143 0.00 0.00 +0.417 C ATOM 34 F LIG 1 -0.854 4.373 -1.046 0.00 0.00 -0.166 F ATOM 35 F LIG 1 -0.840 4.927 1.058 0.00 0.00 -0.166 F ATOM 36 F LIG 1 -2.727 4.676 0.013 0.00 0.00 -0.166 F ENDBRANCH 29 33 ENDBRANCH 12 27 TORSDOF 4