REMARK Name = BDB035899 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.859 0.371 -1.235 0.00 0.00 +0.065 A ATOM 2 C LIG 1 0.521 0.980 -0.990 0.00 0.00 +0.266 A ATOM 3 O LIG 1 0.430 2.145 -0.599 0.00 0.00 -0.267 OA ATOM 4 N LIG 1 -0.578 0.152 -1.228 0.00 0.00 -0.267 N ATOM 5 C LIG 1 -0.396 -1.157 -1.672 0.00 0.00 +0.152 A ATOM 6 C LIG 1 -1.624 -1.974 -1.897 0.00 0.00 +0.098 A ATOM 7 C LIG 1 -2.827 -1.422 -1.667 0.00 0.00 +0.022 A ATOM 8 C LIG 1 -2.964 -0.059 -1.203 0.00 0.00 -0.016 A ATOM 9 N LIG 1 0.773 -1.674 -1.890 0.00 0.00 -0.236 NA ATOM 10 C LIG 1 -1.852 0.666 -1.009 0.00 0.00 +0.101 A ATOM 11 C LIG 1 1.869 -0.894 -1.673 0.00 0.00 +0.127 A ENDROOT BRANCH 1 14 ATOM 12 C LIG 1 5.365 1.266 -0.012 0.00 0.00 -0.033 A ATOM 13 C LIG 1 4.138 0.598 -0.218 0.00 0.00 +0.013 A ATOM 14 C LIG 1 3.118 1.113 -1.041 0.00 0.00 -0.011 A ATOM 15 C LIG 1 3.323 2.341 -1.675 0.00 0.00 +0.009 A ATOM 16 C LIG 1 4.519 3.030 -1.498 0.00 0.00 +0.001 A ATOM 17 C LIG 1 5.518 2.497 -0.683 0.00 0.00 +0.004 A BRANCH 12 21 ATOM 18 C LIG 1 6.723 0.328 4.423 0.00 0.00 +0.007 C ATOM 19 C LIG 1 7.155 0.294 2.971 0.00 0.00 -0.012 C ATOM 20 C LIG 1 6.923 1.585 2.153 0.00 0.00 +0.022 C ATOM 21 C LIG 1 6.537 0.687 0.920 0.00 0.00 +0.056 C ATOM 22 C LIG 1 6.200 -0.418 1.983 0.00 0.00 +0.022 C BRANCH 21 23 ATOM 23 C LIG 1 7.791 0.291 0.023 0.00 0.00 +0.144 A ATOM 24 N LIG 1 7.839 -0.625 -0.992 0.00 0.00 -0.320 N ATOM 25 C LIG 1 6.775 -1.446 -1.499 0.00 0.00 +0.151 C ATOM 26 C LIG 1 9.117 -0.604 -1.458 0.00 0.00 +0.224 A ATOM 27 N LIG 1 9.819 0.270 -0.777 0.00 0.00 -0.138 NA ATOM 28 N LIG 1 8.983 0.839 0.154 0.00 0.00 -0.134 NA ENDBRANCH 21 23 ENDBRANCH 12 21 ENDBRANCH 1 14 BRANCH 6 29 ATOM 29 C LIG 1 -1.413 -3.369 -2.364 0.00 0.00 +0.421 C ATOM 30 F LIG 1 -0.703 -4.120 -1.483 0.00 0.00 -0.166 F ATOM 31 F LIG 1 -0.779 -3.433 -3.563 0.00 0.00 -0.166 F ATOM 32 F LIG 1 -2.596 -4.026 -2.538 0.00 0.00 -0.166 F ENDBRANCH 6 29 BRANCH 8 33 ATOM 33 C LIG 1 -4.357 0.494 -0.978 0.00 0.00 +0.121 C BRANCH 33 34 ATOM 34 N LIG 1 -5.153 -0.275 0.000 0.00 0.00 -0.293 NA ATOM 35 C LIG 1 -6.582 0.174 0.065 0.00 0.00 +0.074 C ATOM 36 C LIG 1 -7.355 -0.533 1.235 0.00 0.00 +0.103 C ATOM 37 N LIG 1 -6.725 -0.461 2.566 0.00 0.00 -0.303 NA ATOM 38 C LIG 1 -6.841 0.870 3.156 0.00 0.00 +0.105 C ATOM 39 C LIG 1 -5.328 -0.897 2.451 0.00 0.00 +0.099 C ATOM 40 C LIG 1 -4.528 -0.183 1.344 0.00 0.00 +0.100 C BRANCH 35 41 ATOM 41 C LIG 1 -7.346 -0.005 -1.293 0.00 0.00 +0.001 C ATOM 42 C LIG 1 -7.329 -1.443 -1.824 0.00 0.00 +0.009 C ATOM 43 C LIG 1 -8.793 0.501 -1.227 0.00 0.00 +0.009 C ENDBRANCH 35 41 ENDBRANCH 33 34 ENDBRANCH 8 33 TORSDOF 7