REMARK Name = BDB006332 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.043 -0.668 -1.674 0.00 0.00 +0.037 A ATOM 2 C LIG 1 1.806 -0.373 -0.323 0.00 0.00 +0.023 A ATOM 3 C LIG 1 0.615 -0.819 0.295 0.00 0.00 +0.004 A ATOM 4 C LIG 1 0.086 -0.689 1.617 0.00 0.00 -0.022 A ATOM 5 C LIG 1 -1.137 -1.344 1.639 0.00 0.00 +0.020 A ATOM 6 N LIG 1 -1.372 -1.843 0.371 0.00 0.00 -0.339 N ATOM 7 C LIG 1 -2.099 -1.506 2.767 0.00 0.00 +0.064 C ATOM 8 C LIG 1 0.724 0.015 2.764 0.00 0.00 +0.046 C ATOM 9 C LIG 1 -0.309 -1.540 -0.464 0.00 0.00 +0.050 A ATOM 10 C LIG 1 -0.091 -1.823 -1.825 0.00 0.00 +0.027 A ATOM 11 C LIG 1 1.094 -1.373 -2.415 0.00 0.00 +0.015 A ENDROOT BRANCH 1 14 ATOM 12 N LIG 1 4.409 -0.110 -1.576 0.00 0.00 -0.305 N ATOM 13 H LIG 1 4.394 -0.470 -0.632 0.00 0.00 +0.150 HD ATOM 14 C LIG 1 3.285 -0.220 -2.363 0.00 0.00 +0.245 C ATOM 15 O LIG 1 3.278 -0.001 -3.568 0.00 0.00 -0.270 OA BRANCH 12 16 ATOM 16 C LIG 1 5.700 0.265 -2.128 0.00 0.00 +0.100 C ATOM 17 C LIG 1 6.347 -0.905 -2.875 0.00 0.00 +0.033 C BRANCH 16 21 ATOM 18 C LIG 1 8.107 1.933 1.082 0.00 0.00 +0.120 A ATOM 19 C LIG 1 7.392 2.758 0.214 0.00 0.00 +0.046 A ATOM 20 C LIG 1 6.627 2.213 -0.821 0.00 0.00 +0.009 A ATOM 21 C LIG 1 6.568 0.826 -1.014 0.00 0.00 -0.027 A ATOM 22 C LIG 1 7.276 0.002 -0.125 0.00 0.00 +0.009 A ATOM 23 C LIG 1 8.044 0.551 0.910 0.00 0.00 +0.046 A BRANCH 18 25 ATOM 24 C LIG 1 9.587 1.797 2.937 0.00 0.00 +0.277 C ATOM 25 O LIG 1 8.814 2.594 2.048 0.00 0.00 -0.495 OA ENDBRANCH 18 25 ENDBRANCH 16 21 ENDBRANCH 12 16 ENDBRANCH 1 14 BRANCH 6 26 ATOM 26 C LIG 1 -2.545 -2.624 -0.028 0.00 0.00 +0.157 C BRANCH 26 27 ATOM 27 C LIG 1 -3.783 -1.779 -0.215 0.00 0.00 -0.028 A ATOM 28 C LIG 1 -4.981 -2.146 0.414 0.00 0.00 +0.006 A ATOM 29 C LIG 1 -6.142 -1.387 0.236 0.00 0.00 +0.009 A ATOM 30 C LIG 1 -6.140 -0.247 -0.581 0.00 0.00 -0.017 A ATOM 31 C LIG 1 -4.945 0.106 -1.223 0.00 0.00 +0.009 A ATOM 32 C LIG 1 -3.783 -0.650 -1.046 0.00 0.00 +0.006 A BRANCH 30 33 ATOM 33 C LIG 1 -7.363 0.547 -0.769 0.00 0.00 -0.004 A ATOM 34 C LIG 1 -7.962 1.299 0.262 0.00 0.00 +0.067 A ATOM 35 C LIG 1 -9.176 1.972 0.055 0.00 0.00 +0.015 A ATOM 36 C LIG 1 -9.792 1.935 -1.195 0.00 0.00 +0.001 A ATOM 37 C LIG 1 -9.203 1.220 -2.234 0.00 0.00 +0.001 A ATOM 38 C LIG 1 -8.004 0.532 -2.023 0.00 0.00 +0.009 A BRANCH 34 39 ATOM 39 C LIG 1 -7.367 1.412 1.607 0.00 0.00 +0.337 C ATOM 40 O LIG 1 -7.941 1.201 2.658 0.00 0.00 -0.245 OA BRANCH 39 41 ATOM 41 O LIG 1 -6.109 1.879 1.552 0.00 0.00 -0.477 OA ATOM 42 H LIG 1 -5.819 1.925 2.485 0.00 0.00 +0.295 HD ENDBRANCH 39 41 ENDBRANCH 34 39 ENDBRANCH 30 33 ENDBRANCH 26 27 ENDBRANCH 6 26 TORSDOF 9