REMARK Name = BDB017724 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.450 -0.829 -0.795 0.00 0.00 -0.029 A ATOM 2 C LIG 1 -1.504 -0.389 -1.609 0.00 0.00 +0.031 A ATOM 3 C LIG 1 -2.765 -0.136 -1.059 0.00 0.00 +0.054 A ATOM 4 C LIG 1 -3.020 -0.324 0.307 0.00 0.00 +0.055 A ATOM 5 C LIG 1 -4.383 -0.048 0.818 0.00 0.00 +0.048 A ATOM 6 N LIG 1 -4.667 -0.255 2.159 0.00 0.00 -0.343 N ATOM 7 H LIG 1 -3.851 -0.330 2.765 0.00 0.00 +0.146 HD ATOM 8 C LIG 1 -5.867 0.283 2.776 0.00 0.00 +0.102 C ATOM 9 C LIG 1 -7.042 0.092 1.822 0.00 0.00 +0.023 C ATOM 10 C LIG 1 -6.737 0.688 0.442 0.00 0.00 +0.044 C ATOM 11 C LIG 1 -5.335 0.397 -0.027 0.00 0.00 +0.038 A ATOM 12 C LIG 1 -5.047 0.619 -1.470 0.00 0.00 +0.254 A ATOM 13 O LIG 1 -5.898 1.047 -2.244 0.00 0.00 -0.268 OA ATOM 14 C LIG 1 -1.955 -0.762 1.104 0.00 0.00 +0.135 A ATOM 15 F LIG 1 -2.114 -0.938 2.427 0.00 0.00 -0.205 F ATOM 16 N LIG 1 -3.784 0.325 -1.899 0.00 0.00 -0.322 N ATOM 17 H LIG 1 -3.609 0.477 -2.883 0.00 0.00 +0.169 HD ATOM 18 C LIG 1 -0.690 -1.016 0.570 0.00 0.00 +0.044 A ENDROOT BRANCH 1 19 ATOM 19 C LIG 1 0.916 -1.111 -1.386 0.00 0.00 +0.119 C BRANCH 19 23 ATOM 20 N LIG 1 3.953 0.100 -0.654 0.00 0.00 -0.311 N ATOM 21 C LIG 1 2.850 0.943 -0.146 0.00 0.00 +0.122 C ATOM 22 C LIG 1 1.763 1.186 -1.223 0.00 0.00 +0.103 C ATOM 23 N LIG 1 1.486 0.039 -2.114 0.00 0.00 -0.295 NA ATOM 24 C LIG 1 2.748 -0.365 -2.787 0.00 0.00 +0.103 C ATOM 25 C LIG 1 4.078 0.084 -2.123 0.00 0.00 +0.122 C BRANCH 20 29 ATOM 26 C LIG 1 7.582 0.476 1.344 0.00 0.00 +0.162 A ATOM 27 N LIG 1 7.545 0.525 0.001 0.00 0.00 -0.137 NA ATOM 28 N LIG 1 6.332 0.399 -0.649 0.00 0.00 -0.133 NA ATOM 29 C LIG 1 5.171 0.242 0.028 0.00 0.00 +0.144 A ATOM 30 C LIG 1 5.218 0.181 1.420 0.00 0.00 +0.048 A ATOM 31 C LIG 1 6.436 0.302 2.092 0.00 0.00 +0.044 A BRANCH 26 33 ATOM 32 N LIG 1 9.899 0.715 2.483 0.00 0.00 -0.189 NA ATOM 33 C LIG 1 8.872 0.609 1.949 0.00 0.00 +0.121 C ENDBRANCH 26 33 ENDBRANCH 20 29 ENDBRANCH 19 23 ENDBRANCH 1 19 TORSDOF 4