REMARK Name = BDB007035 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.172 -0.287 1.371 0.00 0.00 +0.234 C ATOM 2 N LIG 1 1.058 -1.326 1.603 0.00 0.00 -0.268 N ATOM 3 C LIG 1 2.427 -1.480 1.330 0.00 0.00 +0.058 A ATOM 4 C LIG 1 2.842 -2.772 1.639 0.00 0.00 +0.070 A ATOM 5 N LIG 1 4.092 -3.248 1.471 0.00 0.00 -0.257 NA ATOM 6 C LIG 1 4.984 -2.365 0.967 0.00 0.00 +0.115 A ATOM 7 C LIG 1 4.683 -1.042 0.630 0.00 0.00 -0.023 A ATOM 8 C LIG 1 1.694 -3.613 2.158 0.00 0.00 +0.025 C ATOM 9 C LIG 1 2.026 -4.260 3.503 0.00 0.00 +0.019 C ATOM 10 C LIG 1 1.304 -4.674 1.125 0.00 0.00 +0.019 C ATOM 11 C LIG 1 3.370 -0.592 0.853 0.00 0.00 +0.030 A ATOM 12 C LIG 1 0.594 -2.538 2.302 0.00 0.00 +0.126 C ATOM 13 O LIG 1 -0.964 -0.333 1.854 0.00 0.00 -0.274 OA ENDROOT BRANCH 1 14 ATOM 14 C LIG 1 0.635 0.875 0.475 0.00 0.00 +0.181 C BRANCH 14 21 ATOM 15 C LIG 1 -0.291 4.962 -2.131 0.00 0.00 +0.025 C ATOM 16 C LIG 1 -0.926 3.695 -1.556 0.00 0.00 +0.065 C ATOM 17 N LIG 1 -1.499 2.890 -2.649 0.00 0.00 -0.311 NA ATOM 18 H LIG 1 -1.091 3.140 -3.548 0.00 0.00 +0.122 HD ATOM 19 C LIG 1 -1.324 1.445 -2.428 0.00 0.00 +0.101 C ATOM 20 C LIG 1 -1.389 0.974 -0.945 0.00 0.00 +0.085 C ATOM 21 N LIG 1 -0.469 1.724 -0.037 0.00 0.00 -0.287 NA ATOM 22 C LIG 1 0.098 2.924 -0.687 0.00 0.00 +0.103 C BRANCH 20 23 ATOM 23 C LIG 1 -2.846 1.073 -0.393 0.00 0.00 +0.104 C BRANCH 23 24 ATOM 24 N LIG 1 -3.758 0.064 -0.981 0.00 0.00 -0.296 NA ATOM 25 C LIG 1 -3.603 -1.267 -0.343 0.00 0.00 +0.115 C ATOM 26 C LIG 1 -4.202 -1.376 1.081 0.00 0.00 +0.130 C ATOM 27 C LIG 1 -4.120 -2.808 1.593 0.00 0.00 +0.039 C ATOM 28 O LIG 1 -5.587 -0.991 1.079 0.00 0.00 -0.371 OA ATOM 29 C LIG 1 -5.734 0.353 0.592 0.00 0.00 +0.130 C ATOM 30 C LIG 1 -7.218 0.694 0.626 0.00 0.00 +0.039 C ATOM 31 C LIG 1 -5.175 0.471 -0.844 0.00 0.00 +0.115 C ENDBRANCH 23 24 ENDBRANCH 20 23 ENDBRANCH 14 21 ENDBRANCH 1 14 BRANCH 7 32 ATOM 32 C LIG 1 5.767 -0.129 0.105 0.00 0.00 +0.071 C BRANCH 32 33 ATOM 33 C LIG 1 5.300 0.880 -0.926 0.00 0.00 -0.043 A ATOM 34 C LIG 1 5.218 2.244 -0.602 0.00 0.00 +0.007 A ATOM 35 C LIG 1 4.742 3.163 -1.537 0.00 0.00 +0.038 A ATOM 36 C LIG 1 4.349 2.722 -2.795 0.00 0.00 +0.123 A ATOM 37 F LIG 1 3.882 3.604 -3.687 0.00 0.00 -0.205 F ATOM 38 C LIG 1 4.430 1.378 -3.139 0.00 0.00 +0.038 A ATOM 39 C LIG 1 4.906 0.456 -2.206 0.00 0.00 +0.007 A ENDBRANCH 32 33 ENDBRANCH 7 32 TORSDOF 6