REMARK Name = BDB002362 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.367 -1.039 0.100 0.00 0.00 +0.156 C ATOM 2 C LIG 1 0.639 -2.501 -0.227 0.00 0.00 +0.038 C ENDROOT BRANCH 1 4 ATOM 3 C LIG 1 -1.747 0.116 0.645 0.00 0.00 +0.234 C ATOM 4 N LIG 1 -1.019 -0.698 -0.194 0.00 0.00 -0.303 N ATOM 5 H LIG 1 -1.271 -0.700 -1.177 0.00 0.00 +0.149 HD ATOM 6 O LIG 1 -1.357 0.455 1.762 0.00 0.00 -0.274 OA BRANCH 3 7 ATOM 7 C LIG 1 -3.119 0.557 0.090 0.00 0.00 +0.161 C BRANCH 7 9 ATOM 8 C LIG 1 -4.707 -0.896 1.296 0.00 0.00 +0.230 C ATOM 9 N LIG 1 -4.061 0.319 1.184 0.00 0.00 -0.302 N ATOM 10 H LIG 1 -3.837 0.795 2.052 0.00 0.00 +0.150 HD ATOM 11 O LIG 1 -4.683 -1.750 0.412 0.00 0.00 -0.274 OA BRANCH 8 12 ATOM 12 C LIG 1 -5.450 -1.092 2.636 0.00 0.00 +0.137 C ATOM 13 C LIG 1 -4.451 -1.555 3.693 0.00 0.00 +0.034 C BRANCH 12 15 ATOM 14 C LIG 1 -7.671 -1.588 1.784 0.00 0.00 +0.101 C ATOM 15 N LIG 1 -6.514 -2.111 2.504 0.00 0.00 -0.309 NA ATOM 16 H LIG 1 -6.123 -2.885 1.957 0.00 0.00 +0.122 HD ENDBRANCH 12 15 ENDBRANCH 8 12 ENDBRANCH 7 9 BRANCH 7 17 ATOM 17 C LIG 1 -3.105 2.048 -0.311 0.00 0.00 +0.012 C ATOM 18 C LIG 1 -4.485 2.494 -0.807 0.00 0.00 +0.009 C ATOM 19 C LIG 1 -2.065 2.338 -1.397 0.00 0.00 +0.009 C ENDBRANCH 7 17 ENDBRANCH 3 7 ENDBRANCH 1 4 BRANCH 1 20 ATOM 20 C LIG 1 1.280 -0.139 -0.753 0.00 0.00 +0.234 C ATOM 21 N LIG 1 2.568 -0.030 -0.279 0.00 0.00 -0.303 N ATOM 22 H LIG 1 2.869 -0.642 0.466 0.00 0.00 +0.150 HD ATOM 23 O LIG 1 0.890 0.396 -1.791 0.00 0.00 -0.274 OA BRANCH 21 24 ATOM 24 C LIG 1 3.620 0.599 -1.063 0.00 0.00 +0.134 C BRANCH 24 25 ATOM 25 C LIG 1 4.302 -0.504 -1.871 0.00 0.00 -0.023 A ATOM 26 C LIG 1 3.988 -0.668 -3.230 0.00 0.00 +0.006 A ATOM 27 C LIG 1 4.575 -1.689 -3.978 0.00 0.00 +0.000 A ATOM 28 C LIG 1 5.475 -2.567 -3.377 0.00 0.00 +0.000 A ATOM 29 C LIG 1 5.785 -2.428 -2.026 0.00 0.00 +0.000 A ATOM 30 C LIG 1 5.199 -1.409 -1.275 0.00 0.00 +0.006 A ENDBRANCH 24 25 BRANCH 24 31 ATOM 31 C LIG 1 4.567 1.436 -0.199 0.00 0.00 -0.023 A ATOM 32 C LIG 1 5.796 1.881 -0.723 0.00 0.00 +0.006 A ATOM 33 C LIG 1 6.661 2.672 0.036 0.00 0.00 +0.000 A ATOM 34 C LIG 1 6.306 3.055 1.326 0.00 0.00 +0.000 A ATOM 35 C LIG 1 5.081 2.655 1.853 0.00 0.00 +0.000 A ATOM 36 C LIG 1 4.215 1.861 1.095 0.00 0.00 +0.006 A ENDBRANCH 24 31 ENDBRANCH 21 24 ENDBRANCH 1 20 TORSDOF 10