REMARK Name = BDB025798 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.394 -0.975 -0.095 0.00 0.00 +0.054 A ATOM 2 C LIG 1 -0.824 0.317 -0.156 0.00 0.00 +0.056 A ATOM 3 C LIG 1 0.562 0.482 -0.260 0.00 0.00 +0.036 A ATOM 4 C LIG 1 1.427 -0.628 -0.294 0.00 0.00 +0.022 A ATOM 5 C LIG 1 0.838 -1.901 -0.226 0.00 0.00 +0.133 A ATOM 6 F LIG 1 1.608 -3.001 -0.239 0.00 0.00 -0.205 F ATOM 7 C LIG 1 -0.542 -2.080 -0.129 0.00 0.00 +0.064 A ENDROOT BRANCH 4 8 ATOM 8 C LIG 1 2.883 -0.454 -0.397 0.00 0.00 +0.021 A ATOM 9 C LIG 1 3.587 0.521 0.282 0.00 0.00 +0.124 A ATOM 10 N LIG 1 4.925 0.706 0.203 0.00 0.00 -0.222 NA ATOM 11 C LIG 1 5.628 -0.117 -0.593 0.00 0.00 +0.218 A ATOM 12 N LIG 1 5.040 -1.096 -1.298 0.00 0.00 -0.222 NA ATOM 13 C LIG 1 3.700 -1.242 -1.183 0.00 0.00 +0.124 A BRANCH 11 14 ATOM 14 N LIG 1 7.005 0.074 -0.717 0.00 0.00 -0.295 N ATOM 15 C LIG 1 7.613 0.776 0.423 0.00 0.00 +0.136 C ATOM 16 C LIG 1 9.107 1.015 0.158 0.00 0.00 +0.179 C ATOM 17 O LIG 1 9.793 -0.210 -0.149 0.00 0.00 -0.377 OA ATOM 18 C LIG 1 9.224 -0.805 -1.326 0.00 0.00 +0.179 C ATOM 19 C LIG 1 7.736 -1.132 -1.133 0.00 0.00 +0.136 C ENDBRANCH 11 14 ENDBRANCH 4 8 BRANCH 1 22 ATOM 20 C LIG 1 -4.099 -2.971 0.878 0.00 0.00 +0.075 C ATOM 21 C LIG 1 -3.251 -1.724 1.282 0.00 0.00 +0.124 C ATOM 22 N LIG 1 -2.802 -1.080 0.017 0.00 0.00 -0.327 N ATOM 23 C LIG 1 -3.433 -1.806 -1.104 0.00 0.00 +0.107 C ATOM 24 C LIG 1 -4.646 -2.470 -0.467 0.00 0.00 +0.039 C BRANCH 20 26 ATOM 25 C LIG 1 -2.762 -4.637 2.069 0.00 0.00 +0.104 C ATOM 26 N LIG 1 -3.328 -4.242 0.770 0.00 0.00 -0.304 NA ATOM 27 C LIG 1 -4.164 -5.348 0.283 0.00 0.00 +0.104 C ENDBRANCH 20 26 ENDBRANCH 1 22 BRANCH 2 28 ATOM 28 N LIG 1 -1.744 1.384 -0.106 0.00 0.00 -0.280 N ATOM 29 H LIG 1 -2.704 1.049 -0.035 0.00 0.00 +0.155 HD ATOM 30 C LIG 1 -1.488 2.730 -0.073 0.00 0.00 +0.250 C ATOM 31 O LIG 1 -0.400 3.288 -0.064 0.00 0.00 -0.270 OA BRANCH 30 32 ATOM 32 C LIG 1 -2.736 3.542 -0.005 0.00 0.00 +0.065 A ATOM 33 C LIG 1 -3.103 4.301 1.178 0.00 0.00 +0.073 A ATOM 34 C LIG 1 -4.248 5.009 1.167 0.00 0.00 +0.083 A ATOM 35 C LIG 1 -5.130 5.039 -0.030 0.00 0.00 +0.252 A ATOM 36 O LIG 1 -6.166 5.694 0.012 0.00 0.00 -0.268 OA ATOM 37 N LIG 1 -4.694 4.293 -1.123 0.00 0.00 -0.318 N ATOM 38 C LIG 1 -5.488 4.288 -2.342 0.00 0.00 +0.152 C ATOM 39 C LIG 1 -3.514 3.567 -1.098 0.00 0.00 +0.102 A BRANCH 33 40 ATOM 40 C LIG 1 -2.210 4.243 2.380 0.00 0.00 +0.418 C ATOM 41 F LIG 1 -1.928 2.966 2.742 0.00 0.00 -0.166 F ATOM 42 F LIG 1 -1.036 4.888 2.190 0.00 0.00 -0.166 F ATOM 43 F LIG 1 -2.791 4.820 3.468 0.00 0.00 -0.166 F ENDBRANCH 33 40 ENDBRANCH 30 32 ENDBRANCH 2 28 TORSDOF 7