REMARK Name = BDB035403 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.500 -0.572 -0.993 0.00 0.00 -0.263 N ATOM 2 C LIG 1 0.769 -1.023 -1.376 0.00 0.00 +0.251 C ATOM 3 O LIG 1 1.131 -1.681 -2.333 0.00 0.00 -0.270 OA ATOM 4 C LIG 1 1.715 -0.556 -0.354 0.00 0.00 +0.043 A ATOM 5 C LIG 1 3.084 -0.745 -0.292 0.00 0.00 +0.018 A ATOM 6 C LIG 1 3.775 -0.201 0.801 0.00 0.00 -0.032 A ATOM 7 C LIG 1 3.063 0.528 1.784 0.00 0.00 +0.017 A ATOM 8 C LIG 1 1.669 0.711 1.705 0.00 0.00 +0.061 A ATOM 9 C LIG 1 1.012 0.151 0.613 0.00 0.00 -0.006 A ATOM 10 C LIG 1 -0.439 0.178 0.255 0.00 0.00 +0.150 C ENDROOT BRANCH 1 13 ATOM 11 C LIG 1 -4.166 -0.486 -1.836 0.00 0.00 -0.010 A ATOM 12 C LIG 1 -2.934 -0.290 -1.177 0.00 0.00 +0.030 A ATOM 13 C LIG 1 -1.721 -0.782 -1.692 0.00 0.00 +0.037 A ATOM 14 C LIG 1 -1.767 -1.476 -2.905 0.00 0.00 +0.023 A ATOM 15 C LIG 1 -2.972 -1.664 -3.587 0.00 0.00 +0.002 A ATOM 16 C LIG 1 -4.161 -1.168 -3.061 0.00 0.00 +0.007 A BRANCH 11 17 ATOM 17 C LIG 1 -5.475 0.062 -1.276 0.00 0.00 +0.216 C BRANCH 17 20 ATOM 18 C LIG 1 -5.615 -2.481 0.563 0.00 0.00 +0.151 C ATOM 19 N LIG 1 -6.598 -2.065 -0.401 0.00 0.00 -0.318 N ATOM 20 C LIG 1 -6.570 -0.961 -1.216 0.00 0.00 +0.167 A ATOM 21 N LIG 1 -7.673 -0.956 -1.945 0.00 0.00 -0.132 NA ATOM 22 N LIG 1 -8.419 -2.058 -1.607 0.00 0.00 -0.138 NA ATOM 23 C LIG 1 -7.762 -2.713 -0.680 0.00 0.00 +0.224 A ENDBRANCH 17 20 BRANCH 17 24 ATOM 24 O LIG 1 -5.288 0.563 0.060 0.00 0.00 -0.361 OA BRANCH 24 25 ATOM 25 C LIG 1 -6.095 1.720 0.365 0.00 0.00 +0.120 C ATOM 26 C LIG 1 -6.154 2.074 1.825 0.00 0.00 +0.034 C ATOM 27 C LIG 1 -7.350 1.467 1.151 0.00 0.00 +0.034 C ENDBRANCH 24 25 ENDBRANCH 17 24 ENDBRANCH 11 17 ENDBRANCH 1 13 BRANCH 8 28 ATOM 28 C LIG 1 0.910 1.484 2.750 0.00 0.00 +0.418 C ATOM 29 F LIG 1 1.689 1.947 3.765 0.00 0.00 -0.166 F ATOM 30 F LIG 1 0.280 2.572 2.230 0.00 0.00 -0.166 F ATOM 31 F LIG 1 -0.066 0.735 3.335 0.00 0.00 -0.166 F ENDBRANCH 8 28 BRANCH 6 32 ATOM 32 C LIG 1 5.277 -0.361 0.901 0.00 0.00 +0.116 C BRANCH 32 33 ATOM 33 N LIG 1 5.948 0.611 0.039 0.00 0.00 -0.307 NA ATOM 34 H LIG 1 5.544 1.531 0.208 0.00 0.00 +0.123 HD BRANCH 33 35 ATOM 35 C LIG 1 7.413 0.560 0.173 0.00 0.00 +0.017 C ATOM 36 C LIG 1 7.984 1.816 -0.554 0.00 0.00 +0.022 C ATOM 37 C LIG 1 8.881 2.042 0.682 0.00 0.00 +0.004 C ATOM 38 C LIG 1 7.851 1.238 1.503 0.00 0.00 +0.022 C ATOM 39 C LIG 1 8.050 -0.758 -0.228 0.00 0.00 +0.027 C ENDBRANCH 33 35 ENDBRANCH 32 33 ENDBRANCH 6 32 TORSDOF 9