REMARK Name = BDB060739 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 6.205 -1.218 0.763 0.00 0.00 +0.058 C ATOM 2 C LIG 1 4.956 -1.132 0.283 0.00 0.00 +0.176 C ATOM 3 C LIG 1 4.044 -2.304 0.190 0.00 0.00 +0.231 C ATOM 4 O LIG 1 4.238 -3.456 0.512 0.00 0.00 -0.283 OA ATOM 5 C LIG 1 2.838 -1.732 -0.394 0.00 0.00 +0.068 A ATOM 6 C LIG 1 3.081 -0.379 -0.600 0.00 0.00 +0.143 A ATOM 7 C LIG 1 2.117 0.441 -1.147 0.00 0.00 +0.092 A ATOM 8 C LIG 1 0.884 -0.130 -1.496 0.00 0.00 +0.125 A ATOM 9 C LIG 1 0.646 -1.502 -1.272 0.00 0.00 +0.046 A ATOM 10 C LIG 1 1.635 -2.323 -0.716 0.00 0.00 +0.019 A ATOM 11 O LIG 1 4.339 0.013 -0.208 0.00 0.00 -0.451 OA ENDROOT BRANCH 1 16 ATOM 12 C LIG 1 10.091 3.043 1.260 0.00 0.00 +0.044 C ATOM 13 C LIG 1 9.069 1.956 1.103 0.00 0.00 -0.050 A ATOM 14 C LIG 1 7.732 2.183 1.443 0.00 0.00 +0.004 A ATOM 15 C LIG 1 6.785 1.161 1.327 0.00 0.00 +0.008 A ATOM 16 C LIG 1 7.158 -0.107 0.867 0.00 0.00 -0.021 A ATOM 17 C LIG 1 8.503 -0.341 0.558 0.00 0.00 +0.008 A ATOM 18 C LIG 1 9.451 0.680 0.673 0.00 0.00 +0.004 A ENDBRANCH 1 16 BRANCH 8 19 ATOM 19 O LIG 1 -0.014 0.761 -2.020 0.00 0.00 -0.487 OA BRANCH 19 20 ATOM 20 C LIG 1 -1.191 0.253 -2.655 0.00 0.00 +0.264 C BRANCH 20 21 ATOM 21 C LIG 1 -2.332 -0.002 -1.696 0.00 0.00 -0.010 A ATOM 22 C LIG 1 -3.266 -1.007 -1.972 0.00 0.00 +0.014 A ATOM 23 C LIG 1 -4.351 -1.251 -1.113 0.00 0.00 -0.008 A ATOM 24 C LIG 1 -5.237 -2.426 -1.422 0.00 0.00 +0.047 C ATOM 25 C LIG 1 -4.549 -0.414 -0.002 0.00 0.00 +0.128 A ATOM 26 C LIG 1 -3.564 0.525 0.349 0.00 0.00 -0.008 A ATOM 27 C LIG 1 -3.583 1.288 1.644 0.00 0.00 +0.047 C ATOM 28 C LIG 1 -2.492 0.754 -0.530 0.00 0.00 +0.014 A BRANCH 25 29 ATOM 29 O LIG 1 -5.623 -0.621 0.821 0.00 0.00 -0.475 OA BRANCH 29 30 ATOM 30 C LIG 1 -6.837 0.120 0.537 0.00 0.00 +0.200 C ATOM 31 C LIG 1 -7.338 0.065 -0.913 0.00 0.00 +0.067 C ATOM 32 C LIG 1 -6.731 1.585 0.979 0.00 0.00 +0.067 C BRANCH 30 33 ATOM 33 C LIG 1 -7.902 -0.564 1.410 0.00 0.00 +0.348 C ATOM 34 O LIG 1 -8.639 -0.029 2.226 0.00 0.00 -0.247 OA BRANCH 33 35 ATOM 35 O LIG 1 -8.009 -1.895 1.200 0.00 0.00 -0.478 OA ATOM 36 H LIG 1 -8.686 -2.183 1.847 0.00 0.00 +0.295 HD ENDBRANCH 33 35 ENDBRANCH 30 33 ENDBRANCH 29 30 ENDBRANCH 25 29 ENDBRANCH 20 21 ENDBRANCH 19 20 ENDBRANCH 8 19 TORSDOF 8