REMARK Name = BDB018632 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.793 -0.798 -0.456 0.00 0.00 +0.072 A ATOM 2 C LIG 1 -0.658 -1.029 -1.821 0.00 0.00 +0.135 A ATOM 3 F LIG 1 0.188 -1.962 -2.280 0.00 0.00 -0.205 F ATOM 4 C LIG 1 -1.390 -0.278 -2.734 0.00 0.00 +0.039 A ATOM 5 C LIG 1 -2.286 0.692 -2.275 0.00 0.00 +0.007 A ATOM 6 C LIG 1 -2.470 0.904 -0.898 0.00 0.00 -0.041 A ATOM 7 C LIG 1 -1.704 0.157 0.010 0.00 0.00 +0.020 A ENDROOT BRANCH 1 16 ATOM 8 C LIG 1 2.923 1.041 1.270 0.00 0.00 +0.032 C ATOM 9 C LIG 1 3.380 -0.139 0.408 0.00 0.00 +0.105 C ATOM 10 N LIG 1 4.053 -1.144 1.211 0.00 0.00 -0.304 N ATOM 11 C LIG 1 3.411 -2.259 1.690 0.00 0.00 +0.152 A ATOM 12 N LIG 1 4.269 -2.984 2.370 0.00 0.00 -0.132 NA ATOM 13 N LIG 1 5.479 -2.341 2.336 0.00 0.00 -0.127 NA ATOM 14 C LIG 1 1.979 -2.564 1.427 0.00 0.00 +0.184 C ATOM 15 N LIG 1 1.329 -1.547 0.594 0.00 0.00 -0.288 N ATOM 16 C LIG 1 -0.061 -1.610 0.529 0.00 0.00 +0.250 C ATOM 17 O LIG 1 -0.741 -2.290 1.295 0.00 0.00 -0.270 OA ATOM 18 C LIG 1 5.360 -1.223 1.633 0.00 0.00 +0.183 A ATOM 19 C LIG 1 2.185 -0.780 -0.320 0.00 0.00 +0.133 C BRANCH 18 20 ATOM 20 C LIG 1 6.448 -0.274 1.384 0.00 0.00 +0.111 A ATOM 21 N LIG 1 6.154 0.819 0.643 0.00 0.00 -0.216 NA ATOM 22 C LIG 1 7.158 1.692 0.419 0.00 0.00 +0.214 A ATOM 23 F LIG 1 6.872 2.777 -0.315 0.00 0.00 -0.184 F ATOM 24 C LIG 1 8.448 1.540 0.893 0.00 0.00 +0.059 A ATOM 25 C LIG 1 8.736 0.414 1.651 0.00 0.00 +0.007 A ATOM 26 C LIG 1 7.722 -0.507 1.901 0.00 0.00 +0.032 A ENDBRANCH 18 20 ENDBRANCH 1 16 BRANCH 6 27 ATOM 27 C LIG 1 -3.451 1.939 -0.394 0.00 0.00 +0.093 C BRANCH 27 28 ATOM 28 C LIG 1 -4.835 1.819 -1.020 0.00 0.00 +0.074 A ATOM 29 C LIG 1 -5.771 0.759 -0.565 0.00 0.00 +0.011 A ATOM 30 C LIG 1 -7.015 0.699 -1.191 0.00 0.00 +0.050 A ATOM 31 C LIG 1 -7.954 -0.273 -0.824 0.00 0.00 +0.014 A ATOM 32 C LIG 1 -7.645 -1.192 0.178 0.00 0.00 +0.001 A ATOM 33 C LIG 1 -6.403 -1.137 0.808 0.00 0.00 +0.001 A ATOM 34 C LIG 1 -7.336 1.671 -2.248 0.00 0.00 +0.272 A ATOM 35 O LIG 1 -8.417 1.658 -2.825 0.00 0.00 -0.266 OA ATOM 36 N LIG 1 -6.356 2.586 -2.545 0.00 0.00 -0.242 N ATOM 37 H LIG 1 -6.562 3.267 -3.269 0.00 0.00 +0.192 HD ATOM 38 C LIG 1 -5.466 -0.165 0.442 0.00 0.00 +0.010 A ATOM 39 N LIG 1 -5.133 2.671 -1.959 0.00 0.00 -0.175 NA ENDBRANCH 27 28 ENDBRANCH 6 27 TORSDOF 4