REMARK Name = BDB035432 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 3.734 0.893 -0.306 0.00 0.00 -0.032 A ATOM 2 C LIG 1 3.622 1.771 0.800 0.00 0.00 +0.017 A ATOM 3 C LIG 1 2.399 1.980 1.467 0.00 0.00 +0.061 A ATOM 4 C LIG 1 1.292 1.281 0.996 0.00 0.00 -0.006 A ATOM 5 C LIG 1 -0.124 1.296 1.479 0.00 0.00 +0.151 C ATOM 6 N LIG 1 -0.776 0.342 0.595 0.00 0.00 -0.248 N ATOM 7 C LIG 1 0.091 -0.187 -0.349 0.00 0.00 +0.253 C ATOM 8 O LIG 1 -0.103 -0.975 -1.256 0.00 0.00 -0.270 OA ATOM 9 C LIG 1 1.408 0.411 -0.086 0.00 0.00 +0.043 A ATOM 10 C LIG 1 2.601 0.201 -0.754 0.00 0.00 +0.018 A ENDROOT BRANCH 6 11 ATOM 11 C LIG 1 -2.147 0.074 0.755 0.00 0.00 +0.132 A ATOM 12 N LIG 1 -2.804 0.818 1.668 0.00 0.00 -0.198 NA ATOM 13 C LIG 1 -4.120 0.595 1.826 0.00 0.00 +0.217 A ATOM 14 C LIG 1 -4.824 -0.378 1.137 0.00 0.00 +0.072 A ATOM 15 C LIG 1 -4.170 -1.175 0.186 0.00 0.00 -0.026 A ATOM 16 C LIG 1 -2.797 -0.913 0.015 0.00 0.00 +0.049 A BRANCH 15 17 ATOM 17 C LIG 1 -4.959 -2.293 -0.643 0.00 0.00 +0.056 C ATOM 18 C LIG 1 -4.177 -3.541 -1.181 0.00 0.00 +0.022 C ATOM 19 C LIG 1 -5.393 -4.420 -0.809 0.00 0.00 -0.012 C ATOM 20 C LIG 1 -5.089 -5.795 -0.246 0.00 0.00 +0.007 C ATOM 21 C LIG 1 -5.776 -3.331 0.216 0.00 0.00 +0.022 C BRANCH 17 22 ATOM 22 C LIG 1 -5.862 -1.578 -1.738 0.00 0.00 +0.144 A ATOM 23 N LIG 1 -5.488 -1.084 -2.957 0.00 0.00 -0.320 N ATOM 24 C LIG 1 -4.190 -1.097 -3.575 0.00 0.00 +0.151 C ATOM 25 C LIG 1 -6.609 -0.531 -3.496 0.00 0.00 +0.224 A ATOM 26 N LIG 1 -7.611 -0.660 -2.660 0.00 0.00 -0.138 NA ATOM 27 N LIG 1 -7.139 -1.313 -1.549 0.00 0.00 -0.134 NA ENDBRANCH 17 22 ENDBRANCH 15 17 BRANCH 13 28 ATOM 28 O LIG 1 -4.725 1.363 2.781 0.00 0.00 -0.473 OA BRANCH 28 29 ATOM 29 C LIG 1 -5.722 2.219 2.228 0.00 0.00 +0.175 C ATOM 30 C LIG 1 -5.508 3.648 2.716 0.00 0.00 +0.044 C ATOM 31 C LIG 1 -6.872 4.305 2.542 0.00 0.00 +0.004 C ATOM 32 C LIG 1 -7.897 3.176 2.657 0.00 0.00 +0.004 C ATOM 33 C LIG 1 -7.093 1.889 2.810 0.00 0.00 +0.044 C ENDBRANCH 28 29 ENDBRANCH 13 28 ENDBRANCH 6 11 BRANCH 3 34 ATOM 34 C LIG 1 2.292 2.905 2.649 0.00 0.00 +0.418 C ATOM 35 F LIG 1 1.998 2.240 3.798 0.00 0.00 -0.166 F ATOM 36 F LIG 1 3.428 3.609 2.901 0.00 0.00 -0.166 F ATOM 37 F LIG 1 1.307 3.831 2.491 0.00 0.00 -0.166 F ENDBRANCH 3 34 BRANCH 1 38 ATOM 38 C LIG 1 5.067 0.720 -1.011 0.00 0.00 +0.120 C BRANCH 38 40 ATOM 39 C LIG 1 7.470 0.322 -0.803 0.00 0.00 +0.074 C ATOM 40 N LIG 1 6.138 0.221 -0.130 0.00 0.00 -0.293 NA ATOM 41 C LIG 1 5.889 -1.159 0.333 0.00 0.00 +0.100 C ATOM 42 C LIG 1 6.058 -2.241 -0.757 0.00 0.00 +0.099 C ATOM 43 N LIG 1 7.298 -2.137 -1.546 0.00 0.00 -0.303 NA ATOM 44 C LIG 1 7.029 -2.005 -2.975 0.00 0.00 +0.105 C ATOM 45 C LIG 1 8.168 -1.060 -1.043 0.00 0.00 +0.103 C BRANCH 39 47 ATOM 46 C LIG 1 9.775 1.449 -0.611 0.00 0.00 +0.009 C ATOM 47 C LIG 1 8.388 1.278 0.024 0.00 0.00 +0.001 C ATOM 48 C LIG 1 7.767 2.670 0.203 0.00 0.00 +0.009 C ENDBRANCH 39 47 ENDBRANCH 38 40 ENDBRANCH 1 38 TORSDOF 9