REMARK Name = BDB038433 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -1.140 -0.858 -1.183 0.00 0.00 -0.263 N ATOM 2 C LIG 1 0.042 -0.639 -1.897 0.00 0.00 +0.251 C ATOM 3 O LIG 1 0.236 -0.429 -3.080 0.00 0.00 -0.270 OA ATOM 4 C LIG 1 1.144 -0.704 -0.929 0.00 0.00 +0.043 A ATOM 5 C LIG 1 2.499 -0.547 -1.154 0.00 0.00 +0.018 A ATOM 6 C LIG 1 3.366 -0.652 -0.058 0.00 0.00 -0.032 A ATOM 7 C LIG 1 2.833 -0.895 1.230 0.00 0.00 +0.017 A ATOM 8 C LIG 1 1.449 -1.058 1.444 0.00 0.00 +0.061 A ATOM 9 C LIG 1 0.616 -0.952 0.333 0.00 0.00 -0.006 A ATOM 10 C LIG 1 -0.873 -1.058 0.238 0.00 0.00 +0.150 C ENDROOT BRANCH 1 13 ATOM 11 C LIG 1 -4.893 -1.041 -1.331 0.00 0.00 -0.015 A ATOM 12 C LIG 1 -3.561 -1.103 -0.872 0.00 0.00 +0.032 A ATOM 13 C LIG 1 -2.461 -0.854 -1.710 0.00 0.00 +0.038 A ATOM 14 C LIG 1 -2.722 -0.590 -3.057 0.00 0.00 +0.023 A ATOM 15 C LIG 1 -4.031 -0.554 -3.546 0.00 0.00 +0.002 A ATOM 16 C LIG 1 -5.107 -0.772 -2.689 0.00 0.00 +0.008 A BRANCH 11 18 ATOM 17 C LIG 1 -6.175 -0.509 0.804 0.00 0.00 +0.027 A ATOM 18 C LIG 1 -6.029 -1.238 -0.404 0.00 0.00 -0.007 A ATOM 19 C LIG 1 -7.007 -2.206 -0.713 0.00 0.00 +0.009 A ATOM 20 C LIG 1 -8.085 -2.453 0.141 0.00 0.00 +0.001 A ATOM 21 C LIG 1 -8.207 -1.744 1.330 0.00 0.00 +0.001 A ATOM 22 C LIG 1 -7.255 -0.782 1.662 0.00 0.00 +0.012 A BRANCH 17 25 ATOM 23 C LIG 1 -5.718 2.297 -0.510 0.00 0.00 +0.152 C ATOM 24 N LIG 1 -5.021 1.734 0.614 0.00 0.00 -0.317 N ATOM 25 C LIG 1 -5.225 0.521 1.222 0.00 0.00 +0.164 A ATOM 26 N LIG 1 -4.397 0.433 2.249 0.00 0.00 -0.129 NA ATOM 27 N LIG 1 -3.625 1.570 2.286 0.00 0.00 -0.138 NA ATOM 28 C LIG 1 -4.013 2.342 1.299 0.00 0.00 +0.225 A ENDBRANCH 17 25 ENDBRANCH 11 18 ENDBRANCH 1 13 BRANCH 8 29 ATOM 29 C LIG 1 0.896 -1.297 2.824 0.00 0.00 +0.418 C ATOM 30 F LIG 1 0.368 -0.171 3.370 0.00 0.00 -0.166 F ATOM 31 F LIG 1 -0.098 -2.228 2.836 0.00 0.00 -0.166 F ATOM 32 F LIG 1 1.831 -1.743 3.708 0.00 0.00 -0.166 F ENDBRANCH 8 29 BRANCH 6 33 ATOM 33 C LIG 1 4.856 -0.463 -0.249 0.00 0.00 +0.116 C BRANCH 33 34 ATOM 34 N LIG 1 5.171 0.958 -0.325 0.00 0.00 -0.309 NA ATOM 35 H LIG 1 4.992 1.391 0.579 0.00 0.00 +0.122 HD BRANCH 34 36 ATOM 36 C LIG 1 6.539 1.246 -0.770 0.00 0.00 +0.116 C BRANCH 36 37 ATOM 37 C LIG 1 7.652 0.870 0.234 0.00 0.00 +0.078 C ATOM 38 C LIG 1 9.014 1.574 -0.061 0.00 0.00 +0.036 C ATOM 39 C LIG 1 8.635 2.652 0.968 0.00 0.00 +0.006 C ATOM 40 C LIG 1 7.652 1.645 1.587 0.00 0.00 +0.036 C BRANCH 37 41 ATOM 41 O LIG 1 7.763 -0.568 0.371 0.00 0.00 -0.387 OA ATOM 42 H LIG 1 8.053 -0.883 -0.503 0.00 0.00 +0.210 HD ENDBRANCH 37 41 ENDBRANCH 36 37 ENDBRANCH 34 36 ENDBRANCH 33 34 ENDBRANCH 6 33 TORSDOF 9