REMARK Name = BDB035390 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.280 0.077 -1.103 0.00 0.00 -0.263 N ATOM 2 C LIG 1 0.946 0.072 -1.776 0.00 0.00 +0.251 C ATOM 3 O LIG 1 1.236 -0.212 -2.924 0.00 0.00 -0.270 OA ATOM 4 C LIG 1 1.966 0.494 -0.808 0.00 0.00 +0.043 A ATOM 5 C LIG 1 3.328 0.640 -1.000 0.00 0.00 +0.018 A ATOM 6 C LIG 1 4.103 1.058 0.090 0.00 0.00 -0.032 A ATOM 7 C LIG 1 3.478 1.302 1.338 0.00 0.00 +0.017 A ATOM 8 C LIG 1 2.089 1.147 1.517 0.00 0.00 +0.061 A ATOM 9 C LIG 1 1.347 0.740 0.412 0.00 0.00 -0.006 A ATOM 10 C LIG 1 -0.121 0.489 0.286 0.00 0.00 +0.150 C ENDROOT BRANCH 1 13 ATOM 11 C LIG 1 -4.007 -0.528 -1.329 0.00 0.00 -0.032 A ATOM 12 C LIG 1 -2.707 -0.232 -0.847 0.00 0.00 +0.028 A ATOM 13 C LIG 1 -1.552 -0.243 -1.653 0.00 0.00 +0.037 A ATOM 14 C LIG 1 -1.710 -0.567 -3.001 0.00 0.00 +0.023 A ATOM 15 C LIG 1 -2.973 -0.845 -3.524 0.00 0.00 +0.002 A ATOM 16 C LIG 1 -4.099 -0.817 -2.703 0.00 0.00 +0.005 A BRANCH 11 17 ATOM 17 C LIG 1 -5.307 -0.502 -0.342 0.00 0.00 +0.061 C ATOM 18 C LIG 1 -5.150 -1.272 1.019 0.00 0.00 +0.059 C ATOM 19 C LIG 1 -5.811 -2.499 0.349 0.00 0.00 +0.111 C ATOM 20 F LIG 1 -4.943 -3.390 -0.185 0.00 0.00 -0.242 F ATOM 21 C LIG 1 -6.798 -3.252 1.222 0.00 0.00 +0.047 C ATOM 22 C LIG 1 -6.448 -1.526 -0.673 0.00 0.00 +0.059 C BRANCH 17 25 ATOM 23 C LIG 1 -8.113 0.872 0.875 0.00 0.00 +0.151 C ATOM 24 N LIG 1 -6.931 1.535 0.399 0.00 0.00 -0.320 N ATOM 25 C LIG 1 -5.765 1.014 -0.106 0.00 0.00 +0.144 A ATOM 26 N LIG 1 -4.943 2.022 -0.344 0.00 0.00 -0.134 NA ATOM 27 N LIG 1 -5.575 3.196 -0.029 0.00 0.00 -0.138 NA ATOM 28 C LIG 1 -6.768 2.890 0.410 0.00 0.00 +0.224 A ENDBRANCH 17 25 ENDBRANCH 11 17 ENDBRANCH 1 13 BRANCH 8 29 ATOM 29 C LIG 1 1.428 1.406 2.843 0.00 0.00 +0.418 C ATOM 30 F LIG 1 0.751 0.316 3.302 0.00 0.00 -0.166 F ATOM 31 F LIG 1 2.293 1.755 3.833 0.00 0.00 -0.166 F ATOM 32 F LIG 1 0.509 2.408 2.774 0.00 0.00 -0.166 F ENDBRANCH 8 29 BRANCH 6 33 ATOM 33 C LIG 1 5.601 1.220 -0.050 0.00 0.00 +0.116 C BRANCH 33 34 ATOM 34 N LIG 1 6.293 0.126 0.633 0.00 0.00 -0.307 NA ATOM 35 H LIG 1 5.882 -0.754 0.317 0.00 0.00 +0.123 HD BRANCH 34 36 ATOM 36 C LIG 1 7.754 0.198 0.461 0.00 0.00 +0.017 C ATOM 37 C LIG 1 8.149 -0.259 -0.972 0.00 0.00 +0.022 C ATOM 38 C LIG 1 9.200 -1.183 -0.322 0.00 0.00 +0.004 C ATOM 39 C LIG 1 8.342 -1.157 0.961 0.00 0.00 +0.022 C ATOM 40 C LIG 1 8.409 1.435 1.048 0.00 0.00 +0.027 C ENDBRANCH 34 36 ENDBRANCH 33 34 ENDBRANCH 6 33 TORSDOF 7