REMARK Name = BDB007120 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.162 -2.426 3.039 0.00 0.00 +0.046 C ATOM 2 C LIG 1 -0.403 -1.496 2.021 0.00 0.00 -0.022 A ATOM 3 C LIG 1 0.211 -1.113 0.789 0.00 0.00 +0.004 A ATOM 4 C LIG 1 -0.658 -0.236 0.135 0.00 0.00 +0.050 A ATOM 5 C LIG 1 -0.348 0.315 -1.121 0.00 0.00 +0.027 A ATOM 6 C LIG 1 0.873 -0.023 -1.714 0.00 0.00 +0.015 A ATOM 7 C LIG 1 1.766 -0.882 -1.073 0.00 0.00 +0.037 A ATOM 8 N LIG 1 -1.772 -0.091 0.947 0.00 0.00 -0.339 N ATOM 9 C LIG 1 1.436 -1.442 0.170 0.00 0.00 +0.023 A ATOM 10 C LIG 1 -1.622 -0.840 2.099 0.00 0.00 +0.020 A ATOM 11 C LIG 1 -2.655 -0.893 3.174 0.00 0.00 +0.064 C ENDROOT BRANCH 7 12 ATOM 12 C LIG 1 3.072 -1.253 -1.685 0.00 0.00 +0.245 C ATOM 13 N LIG 1 3.654 -0.296 -2.491 0.00 0.00 -0.305 N ATOM 14 H LIG 1 3.316 0.652 -2.407 0.00 0.00 +0.150 HD ATOM 15 O LIG 1 3.581 -2.340 -1.438 0.00 0.00 -0.270 OA BRANCH 13 16 ATOM 16 C LIG 1 5.016 -0.447 -2.983 0.00 0.00 +0.100 C ATOM 17 C LIG 1 5.077 -0.040 -4.457 0.00 0.00 +0.033 C BRANCH 16 18 ATOM 18 C LIG 1 5.964 0.323 -2.076 0.00 0.00 -0.027 A ATOM 19 C LIG 1 6.463 -0.314 -0.924 0.00 0.00 +0.009 A ATOM 20 C LIG 1 7.317 0.345 -0.026 0.00 0.00 -0.044 A ATOM 21 C LIG 1 7.668 1.675 -0.293 0.00 0.00 +0.004 A ATOM 22 C LIG 1 7.173 2.326 -1.423 0.00 0.00 +0.001 A ATOM 23 C LIG 1 6.322 1.658 -2.305 0.00 0.00 +0.005 A BRANCH 20 24 ATOM 24 C LIG 1 7.826 -0.386 1.203 0.00 0.00 +0.013 C ATOM 25 C LIG 1 9.354 -0.490 1.207 0.00 0.00 +0.012 C ATOM 26 C LIG 1 7.321 0.267 2.492 0.00 0.00 +0.012 C ENDBRANCH 20 24 ENDBRANCH 16 18 ENDBRANCH 13 16 ENDBRANCH 7 12 BRANCH 8 27 ATOM 27 C LIG 1 -2.913 0.775 0.644 0.00 0.00 +0.157 C BRANCH 27 28 ATOM 28 C LIG 1 -4.144 0.012 0.213 0.00 0.00 -0.024 A ATOM 29 C LIG 1 -5.391 0.335 0.773 0.00 0.00 +0.051 A ATOM 30 C LIG 1 -6.547 -0.327 0.357 0.00 0.00 +0.122 A ATOM 31 C LIG 1 -6.469 -1.360 -0.572 0.00 0.00 +0.046 A ATOM 32 C LIG 1 -5.242 -1.680 -1.148 0.00 0.00 +0.004 A ATOM 33 C LIG 1 -4.089 -0.989 -0.769 0.00 0.00 +0.005 A BRANCH 30 34 ATOM 34 O LIG 1 -7.739 -0.047 0.961 0.00 0.00 -0.475 OA BRANCH 34 35 ATOM 35 C LIG 1 -8.558 0.962 0.328 0.00 0.00 +0.200 C ATOM 36 C LIG 1 -7.925 2.357 0.426 0.00 0.00 +0.067 C ATOM 37 C LIG 1 -8.937 0.642 -1.124 0.00 0.00 +0.067 C BRANCH 35 38 ATOM 38 C LIG 1 -9.855 0.962 1.153 0.00 0.00 +0.348 C ATOM 39 O LIG 1 -10.363 1.915 1.725 0.00 0.00 -0.247 OA BRANCH 38 40 ATOM 40 O LIG 1 -10.466 -0.243 1.208 0.00 0.00 -0.478 OA ATOM 41 H LIG 1 -11.238 -0.094 1.791 0.00 0.00 +0.295 HD ENDBRANCH 38 40 ENDBRANCH 35 38 ENDBRANCH 34 35 ENDBRANCH 30 34 ENDBRANCH 27 28 ENDBRANCH 8 27 TORSDOF 10