REMARK Name = BDB020072 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.341 -1.238 -0.263 0.00 0.00 +0.038 A ATOM 2 C LIG 1 -1.074 -2.370 -0.623 0.00 0.00 +0.023 A ATOM 3 C LIG 1 -2.360 -2.582 -0.102 0.00 0.00 +0.002 A ATOM 4 C LIG 1 -2.898 -1.621 0.776 0.00 0.00 +0.015 A ATOM 5 C LIG 1 -2.163 -0.490 1.165 0.00 0.00 -0.026 A ATOM 6 C LIG 1 -0.871 -0.322 0.650 0.00 0.00 +0.018 A ENDROOT BRANCH 3 7 ATOM 7 C LIG 1 -3.129 -3.770 -0.496 0.00 0.00 +0.083 A ATOM 8 C LIG 1 -3.413 -4.837 0.357 0.00 0.00 +0.081 A ATOM 9 C LIG 1 -4.165 -5.905 -0.160 0.00 0.00 +0.016 A ATOM 10 C LIG 1 -4.590 -5.886 -1.483 0.00 0.00 +0.020 A ATOM 11 C LIG 1 -4.253 -4.793 -2.255 0.00 0.00 +0.111 A ATOM 12 N LIG 1 -3.540 -3.745 -1.792 0.00 0.00 -0.254 NA BRANCH 8 13 ATOM 13 C LIG 1 -2.942 -4.853 1.780 0.00 0.00 +0.419 C ATOM 14 F LIG 1 -1.612 -4.609 1.920 0.00 0.00 -0.166 F ATOM 15 F LIG 1 -3.156 -6.051 2.399 0.00 0.00 -0.166 F ATOM 16 F LIG 1 -3.583 -3.932 2.556 0.00 0.00 -0.166 F ENDBRANCH 8 13 ENDBRANCH 3 7 BRANCH 1 19 ATOM 17 N LIG 1 1.330 0.276 -1.131 0.00 0.00 -0.304 N ATOM 18 H LIG 1 0.646 1.003 -0.980 0.00 0.00 +0.150 HD ATOM 19 C LIG 1 1.013 -1.031 -0.836 0.00 0.00 +0.245 C ATOM 20 O LIG 1 1.755 -1.987 -1.023 0.00 0.00 -0.270 OA BRANCH 17 21 ATOM 21 C LIG 1 2.686 0.686 -1.419 0.00 0.00 +0.107 C BRANCH 21 28 ATOM 22 C LIG 1 6.669 0.408 1.681 0.00 0.00 +0.047 C ATOM 23 C LIG 1 5.341 1.004 1.327 0.00 0.00 -0.015 A ATOM 24 C LIG 1 4.733 1.926 2.180 0.00 0.00 +0.126 A ATOM 25 F LIG 1 5.355 2.305 3.307 0.00 0.00 -0.205 F ATOM 26 C LIG 1 3.486 2.466 1.889 0.00 0.00 +0.039 A ATOM 27 C LIG 1 2.819 2.077 0.727 0.00 0.00 +0.008 A ATOM 28 C LIG 1 3.394 1.137 -0.149 0.00 0.00 -0.027 A ATOM 29 C LIG 1 4.658 0.606 0.169 0.00 0.00 +0.011 A ENDBRANCH 21 28 BRANCH 21 30 ATOM 30 C LIG 1 2.651 1.814 -2.422 0.00 0.00 +0.014 C ATOM 31 C LIG 1 2.439 1.515 -3.887 0.00 0.00 +0.006 C ATOM 32 C LIG 1 3.779 2.001 -3.408 0.00 0.00 +0.006 C ENDBRANCH 21 30 ENDBRANCH 17 21 ENDBRANCH 1 19 BRANCH 5 33 ATOM 33 C LIG 1 -2.745 0.529 2.123 0.00 0.00 +0.159 C BRANCH 33 34 ATOM 34 N LIG 1 -2.824 1.841 1.511 0.00 0.00 -0.313 N ATOM 35 C LIG 1 -1.847 2.843 1.586 0.00 0.00 +0.204 A ATOM 36 N LIG 1 -0.759 2.890 2.268 0.00 0.00 -0.268 NA ATOM 37 H LIG 1 -0.675 2.053 2.844 0.00 0.00 +0.190 HD ATOM 38 N LIG 1 -2.302 3.831 0.709 0.00 0.00 -0.320 N ATOM 39 C LIG 1 -1.622 5.087 0.513 0.00 0.00 +0.152 C ATOM 40 C LIG 1 -3.500 3.443 0.134 0.00 0.00 +0.106 A ATOM 41 C LIG 1 -3.814 2.231 0.610 0.00 0.00 +0.107 A ENDBRANCH 33 34 ENDBRANCH 5 33 TORSDOF 8