REMARK Name = BDB035753 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 3.400 -0.138 0.417 0.00 0.00 -0.030 A ATOM 2 C LIG 1 2.915 1.152 0.075 0.00 0.00 +0.014 A ATOM 3 C LIG 1 1.558 1.383 -0.214 0.00 0.00 +0.023 A ATOM 4 C LIG 1 0.696 0.295 -0.142 0.00 0.00 -0.009 A ATOM 5 C LIG 1 -0.776 0.230 -0.379 0.00 0.00 +0.150 C ATOM 6 N LIG 1 -1.103 -1.171 -0.141 0.00 0.00 -0.263 N ATOM 7 C LIG 1 0.040 -1.903 0.202 0.00 0.00 +0.251 C ATOM 8 O LIG 1 0.188 -3.080 0.477 0.00 0.00 -0.270 OA ATOM 9 C LIG 1 1.170 -0.965 0.197 0.00 0.00 +0.043 A ATOM 10 C LIG 1 2.501 -1.214 0.477 0.00 0.00 +0.018 A ENDROOT BRANCH 6 11 ATOM 11 C LIG 1 -2.426 -1.677 -0.272 0.00 0.00 +0.037 A ATOM 12 C LIG 1 -3.495 -0.817 -0.594 0.00 0.00 +0.028 A ATOM 13 C LIG 1 -4.819 -1.281 -0.727 0.00 0.00 -0.035 A ATOM 14 C LIG 1 -5.059 -2.651 -0.540 0.00 0.00 +0.004 A ATOM 15 C LIG 1 -4.018 -3.518 -0.222 0.00 0.00 +0.002 A ATOM 16 C LIG 1 -2.716 -3.033 -0.088 0.00 0.00 +0.023 A BRANCH 13 17 ATOM 17 C LIG 1 -6.014 -0.379 -1.046 0.00 0.00 +0.094 C BRANCH 17 18 ATOM 18 C LIG 1 -7.002 -0.247 0.082 0.00 0.00 +0.141 A ATOM 19 N LIG 1 -6.753 -0.128 1.429 0.00 0.00 -0.320 N ATOM 20 C LIG 1 -5.497 -0.096 2.129 0.00 0.00 +0.151 C ATOM 21 C LIG 1 -7.972 -0.047 2.034 0.00 0.00 +0.224 A ATOM 22 N LIG 1 -8.918 -0.111 1.131 0.00 0.00 -0.138 NA ATOM 23 N LIG 1 -8.313 -0.242 -0.091 0.00 0.00 -0.134 NA ENDBRANCH 17 18 BRANCH 17 24 ATOM 24 C LIG 1 -5.623 0.950 -1.695 0.00 0.00 +0.055 C ATOM 25 C LIG 1 -5.267 2.206 -0.876 0.00 0.00 +0.166 C ATOM 26 O LIG 1 -6.050 3.033 -1.776 0.00 0.00 -0.379 OA ATOM 27 C LIG 1 -6.752 1.847 -2.243 0.00 0.00 +0.166 C ENDBRANCH 17 24 ENDBRANCH 13 17 ENDBRANCH 6 11 BRANCH 3 28 ATOM 28 C LIG 1 1.046 2.752 -0.562 0.00 0.00 +0.372 C ATOM 29 F LIG 1 0.228 3.246 0.409 0.00 0.00 -0.204 F ATOM 30 F LIG 1 0.292 2.740 -1.698 0.00 0.00 -0.204 F ENDBRANCH 3 28 BRANCH 1 32 ATOM 31 C LIG 1 5.214 0.303 2.066 0.00 0.00 +0.029 C ATOM 32 C LIG 1 4.881 -0.363 0.726 0.00 0.00 +0.081 C BRANCH 32 33 ATOM 33 N LIG 1 5.682 0.125 -0.410 0.00 0.00 -0.304 NA ATOM 34 H LIG 1 5.285 -0.286 -1.257 0.00 0.00 +0.123 HD BRANCH 33 35 ATOM 35 C LIG 1 7.131 -0.118 -0.307 0.00 0.00 +0.017 C ATOM 36 C LIG 1 7.757 0.454 -1.621 0.00 0.00 +0.022 C ATOM 37 C LIG 1 8.825 1.134 -0.742 0.00 0.00 +0.004 C ATOM 38 C LIG 1 7.816 1.074 0.422 0.00 0.00 +0.022 C ATOM 39 C LIG 1 7.550 -1.539 0.019 0.00 0.00 +0.027 C ENDBRANCH 33 35 ENDBRANCH 32 33 ENDBRANCH 1 32 TORSDOF 8