REMARK Name = BDB035395 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.914 1.553 -0.262 0.00 0.00 -0.263 N ATOM 2 C LIG 1 -0.286 0.396 0.210 0.00 0.00 +0.251 C ATOM 3 O LIG 1 -0.703 -0.741 0.349 0.00 0.00 -0.270 OA ATOM 4 C LIG 1 1.083 0.773 0.582 0.00 0.00 +0.043 A ATOM 5 C LIG 1 2.096 -0.030 1.074 0.00 0.00 +0.018 A ATOM 6 C LIG 1 3.330 0.572 1.355 0.00 0.00 -0.032 A ATOM 7 C LIG 1 3.500 1.959 1.121 0.00 0.00 +0.017 A ATOM 8 C LIG 1 2.457 2.762 0.623 0.00 0.00 +0.061 A ATOM 9 C LIG 1 1.243 2.135 0.357 0.00 0.00 -0.006 A ATOM 10 C LIG 1 -0.032 2.709 -0.172 0.00 0.00 +0.150 C ENDROOT BRANCH 1 13 ATOM 11 C LIG 1 -4.367 0.559 -1.435 0.00 0.00 -0.032 A ATOM 12 C LIG 1 -3.029 0.509 -0.978 0.00 0.00 +0.028 A ATOM 13 C LIG 1 -2.243 1.651 -0.757 0.00 0.00 +0.037 A ATOM 14 C LIG 1 -2.812 2.897 -1.042 0.00 0.00 +0.023 A ATOM 15 C LIG 1 -4.127 2.993 -1.496 0.00 0.00 +0.002 A ATOM 16 C LIG 1 -4.890 1.841 -1.680 0.00 0.00 +0.005 A BRANCH 11 17 ATOM 17 C LIG 1 -5.251 -0.758 -1.655 0.00 0.00 +0.061 C ATOM 18 C LIG 1 -4.539 -2.106 -2.013 0.00 0.00 +0.056 C ATOM 19 C LIG 1 -5.684 -2.407 -3.003 0.00 0.00 +0.169 C ATOM 20 F LIG 1 -5.312 -2.990 -4.165 0.00 0.00 -0.245 F ATOM 21 C LIG 1 -5.938 -0.889 -3.062 0.00 0.00 +0.056 C BRANCH 17 24 ATOM 22 C LIG 1 -4.708 -1.146 1.522 0.00 0.00 +0.151 C ATOM 23 N LIG 1 -5.992 -1.091 0.880 0.00 0.00 -0.320 N ATOM 24 C LIG 1 -6.274 -0.928 -0.450 0.00 0.00 +0.144 A ATOM 25 N LIG 1 -7.582 -0.938 -0.610 0.00 0.00 -0.134 NA ATOM 26 N LIG 1 -8.162 -1.109 0.624 0.00 0.00 -0.138 NA ATOM 27 C LIG 1 -7.196 -1.196 1.507 0.00 0.00 +0.224 A ENDBRANCH 17 24 ENDBRANCH 11 17 ENDBRANCH 1 13 BRANCH 8 28 ATOM 28 C LIG 1 2.643 4.234 0.369 0.00 0.00 +0.418 C ATOM 29 F LIG 1 1.698 4.985 1.000 0.00 0.00 -0.166 F ATOM 30 F LIG 1 3.845 4.720 0.778 0.00 0.00 -0.166 F ATOM 31 F LIG 1 2.536 4.543 -0.953 0.00 0.00 -0.166 F ENDBRANCH 8 28 BRANCH 6 32 ATOM 32 C LIG 1 4.487 -0.255 1.875 0.00 0.00 +0.116 C BRANCH 32 33 ATOM 33 N LIG 1 5.496 -0.423 0.828 0.00 0.00 -0.307 NA ATOM 34 H LIG 1 5.027 -0.727 -0.025 0.00 0.00 +0.123 HD BRANCH 33 35 ATOM 35 C LIG 1 6.611 -1.298 1.248 0.00 0.00 +0.017 C ATOM 36 C LIG 1 6.204 -2.792 1.122 0.00 0.00 +0.022 C ATOM 37 C LIG 1 6.702 -2.779 -0.337 0.00 0.00 +0.004 C ATOM 38 C LIG 1 7.514 -1.512 -0.003 0.00 0.00 +0.022 C ATOM 39 C LIG 1 7.353 -0.844 2.489 0.00 0.00 +0.027 C ENDBRANCH 33 35 ENDBRANCH 32 33 ENDBRANCH 6 32 TORSDOF 7