REMARK Name = BDB006367 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.279 1.046 -3.944 0.00 0.00 +0.046 C ATOM 2 C LIG 1 0.827 1.069 -2.524 0.00 0.00 -0.022 A ATOM 3 C LIG 1 1.500 0.479 -1.409 0.00 0.00 +0.004 A ATOM 4 C LIG 1 0.733 0.728 -0.269 0.00 0.00 +0.050 A ATOM 5 C LIG 1 1.120 0.263 1.000 0.00 0.00 +0.027 A ATOM 6 C LIG 1 2.314 -0.457 1.111 0.00 0.00 +0.015 A ATOM 7 C LIG 1 3.108 -0.702 -0.011 0.00 0.00 +0.037 A ATOM 8 N LIG 1 -0.379 1.448 -0.678 0.00 0.00 -0.339 N ATOM 9 C LIG 1 2.700 -0.251 -1.274 0.00 0.00 +0.023 A ATOM 10 C LIG 1 -0.325 1.671 -2.042 0.00 0.00 +0.020 A ATOM 11 C LIG 1 -1.379 2.421 -2.785 0.00 0.00 +0.064 C ENDROOT BRANCH 7 12 ATOM 12 C LIG 1 4.385 -1.463 0.083 0.00 0.00 +0.244 C ATOM 13 N LIG 1 5.071 -1.352 1.274 0.00 0.00 -0.307 N ATOM 14 H LIG 1 4.811 -0.615 1.913 0.00 0.00 +0.149 HD ATOM 15 O LIG 1 4.788 -2.112 -0.875 0.00 0.00 -0.270 OA BRANCH 13 16 ATOM 16 C LIG 1 6.390 -1.921 1.437 0.00 0.00 +0.139 C BRANCH 16 17 ATOM 17 C LIG 1 7.455 -0.871 1.243 0.00 0.00 -0.030 A ATOM 18 C LIG 1 8.047 -0.236 2.347 0.00 0.00 +0.008 A ATOM 19 C LIG 1 9.017 0.749 2.155 0.00 0.00 +0.038 A ATOM 20 C LIG 1 9.390 1.105 0.864 0.00 0.00 +0.123 A ATOM 21 F LIG 1 10.320 2.052 0.685 0.00 0.00 -0.205 F ATOM 22 C LIG 1 8.811 0.495 -0.241 0.00 0.00 +0.038 A ATOM 23 C LIG 1 7.842 -0.491 -0.053 0.00 0.00 +0.008 A ENDBRANCH 16 17 ENDBRANCH 13 16 ENDBRANCH 7 12 BRANCH 8 24 ATOM 24 C LIG 1 -1.425 1.943 0.219 0.00 0.00 +0.157 C BRANCH 24 25 ATOM 25 C LIG 1 -2.710 1.154 0.128 0.00 0.00 -0.028 A ATOM 26 C LIG 1 -2.723 -0.245 0.222 0.00 0.00 +0.006 A ATOM 27 C LIG 1 -3.928 -0.953 0.162 0.00 0.00 +0.009 A ATOM 28 C LIG 1 -5.152 -0.284 0.021 0.00 0.00 -0.017 A ATOM 29 C LIG 1 -5.136 1.116 -0.061 0.00 0.00 +0.009 A ATOM 30 C LIG 1 -3.933 1.826 -0.002 0.00 0.00 +0.006 A BRANCH 28 31 ATOM 31 C LIG 1 -6.416 -1.032 -0.058 0.00 0.00 -0.004 A ATOM 32 C LIG 1 -7.428 -0.950 0.920 0.00 0.00 +0.067 A ATOM 33 C LIG 1 -8.650 -1.621 0.753 0.00 0.00 +0.015 A ATOM 34 C LIG 1 -8.868 -2.410 -0.374 0.00 0.00 +0.001 A ATOM 35 C LIG 1 -7.871 -2.526 -1.339 0.00 0.00 +0.001 A ATOM 36 C LIG 1 -6.662 -1.842 -1.184 0.00 0.00 +0.009 A BRANCH 32 37 ATOM 37 C LIG 1 -7.279 -0.158 2.155 0.00 0.00 +0.337 C ATOM 38 O LIG 1 -8.082 0.651 2.582 0.00 0.00 -0.245 OA BRANCH 37 39 ATOM 39 O LIG 1 -6.173 -0.498 2.837 0.00 0.00 -0.477 OA ATOM 40 H LIG 1 -6.194 0.069 3.634 0.00 0.00 +0.295 HD ENDBRANCH 37 39 ENDBRANCH 32 37 ENDBRANCH 28 31 ENDBRANCH 24 25 ENDBRANCH 8 24 TORSDOF 8