REMARK Name = BDB010933 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 3.741 -1.623 0.568 0.00 0.00 -0.032 A ATOM 2 C LIG 1 2.798 -0.766 1.149 0.00 0.00 +0.019 A ATOM 3 C LIG 1 1.468 -0.762 0.703 0.00 0.00 +0.051 A ATOM 4 C LIG 1 1.082 -1.616 -0.323 0.00 0.00 +0.019 A ATOM 5 C LIG 1 -0.319 -1.551 -0.724 0.00 0.00 +0.142 A ATOM 6 N LIG 1 -1.199 -0.761 -0.200 0.00 0.00 -0.171 NA ATOM 7 N LIG 1 -0.831 0.100 0.817 0.00 0.00 -0.196 N ATOM 8 C LIG 1 2.004 -2.486 -0.929 0.00 0.00 +0.064 A ATOM 9 C LIG 1 0.480 0.153 1.321 0.00 0.00 +0.280 A ATOM 10 O LIG 1 0.901 0.875 2.222 0.00 0.00 -0.265 OA ATOM 11 C LIG 1 3.332 -2.477 -0.467 0.00 0.00 +0.018 A ENDROOT BRANCH 7 12 ATOM 12 C LIG 1 -1.917 0.933 1.281 0.00 0.00 +0.070 A ATOM 13 C LIG 1 -3.213 0.776 0.734 0.00 0.00 +0.032 A ATOM 14 C LIG 1 -4.330 1.563 1.102 0.00 0.00 -0.032 A ATOM 15 C LIG 1 -4.094 2.538 2.088 0.00 0.00 +0.005 A ATOM 16 C LIG 1 -2.837 2.715 2.660 0.00 0.00 +0.002 A ATOM 17 C LIG 1 -1.761 1.921 2.258 0.00 0.00 +0.028 A BRANCH 14 18 ATOM 18 C LIG 1 -5.793 1.397 0.443 0.00 0.00 +0.056 C ATOM 19 C LIG 1 -6.936 0.950 1.433 0.00 0.00 +0.022 C ATOM 20 C LIG 1 -6.687 -0.505 0.969 0.00 0.00 -0.012 C ATOM 21 C LIG 1 -7.907 -1.397 0.869 0.00 0.00 +0.007 C ATOM 22 C LIG 1 -6.157 0.094 -0.356 0.00 0.00 +0.022 C BRANCH 18 23 ATOM 23 C LIG 1 -6.160 2.704 -0.371 0.00 0.00 +0.144 A ATOM 24 N LIG 1 -5.521 3.202 -1.474 0.00 0.00 -0.320 N ATOM 25 C LIG 1 -4.374 2.661 -2.149 0.00 0.00 +0.151 C ATOM 26 C LIG 1 -6.180 4.345 -1.807 0.00 0.00 +0.224 A ATOM 27 N LIG 1 -7.165 4.546 -0.963 0.00 0.00 -0.138 NA ATOM 28 N LIG 1 -7.151 3.513 -0.054 0.00 0.00 -0.134 NA ENDBRANCH 18 23 ENDBRANCH 14 18 ENDBRANCH 7 12 BRANCH 8 29 ATOM 29 C LIG 1 1.605 -3.412 -2.046 0.00 0.00 +0.418 C ATOM 30 F LIG 1 0.646 -4.297 -1.661 0.00 0.00 -0.166 F ATOM 31 F LIG 1 1.090 -2.741 -3.113 0.00 0.00 -0.166 F ATOM 32 F LIG 1 2.629 -4.162 -2.537 0.00 0.00 -0.166 F ENDBRANCH 8 29 BRANCH 1 33 ATOM 33 C LIG 1 5.179 -1.636 1.049 0.00 0.00 +0.120 C BRANCH 33 37 ATOM 34 C LIG 1 9.900 -1.938 -0.469 0.00 0.00 +0.040 C ATOM 35 C LIG 1 8.568 -1.258 -0.592 0.00 0.00 -0.063 C ATOM 36 C LIG 1 7.488 -1.733 0.359 0.00 0.00 +0.115 C ATOM 37 N LIG 1 6.128 -1.313 -0.026 0.00 0.00 -0.294 NA ATOM 38 C LIG 1 6.116 0.123 -0.356 0.00 0.00 +0.089 C ATOM 39 C LIG 1 7.015 0.414 -1.570 0.00 0.00 +0.042 C ATOM 40 C LIG 1 8.342 -0.283 -1.490 0.00 0.00 -0.025 C ENDBRANCH 33 37 ENDBRANCH 1 33 TORSDOF 6