REMARK Name = BDB027826 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.795 -0.208 0.158 0.00 0.00 +0.041 A ATOM 2 C LIG 1 -0.752 -1.396 0.923 0.00 0.00 +0.024 A ATOM 3 C LIG 1 0.444 -1.694 1.594 0.00 0.00 +0.091 A ATOM 4 C LIG 1 0.450 -2.866 2.335 0.00 0.00 +0.139 A ATOM 5 N LIG 1 -0.584 -3.740 2.469 0.00 0.00 -0.261 NA ATOM 6 C LIG 1 -1.711 -3.423 1.809 0.00 0.00 +0.111 A ATOM 7 N LIG 1 1.536 -0.902 1.537 0.00 0.00 -0.245 NA ATOM 8 C LIG 1 1.494 0.232 0.794 0.00 0.00 +0.076 A ATOM 9 C LIG 1 -1.843 -2.283 1.038 0.00 0.00 +0.031 A ATOM 10 C LIG 1 0.344 0.607 0.110 0.00 0.00 +0.052 A ENDROOT BRANCH 8 11 ATOM 11 C LIG 1 2.736 1.029 0.797 0.00 0.00 +0.039 A ATOM 12 C LIG 1 3.137 1.820 -0.284 0.00 0.00 +0.151 A ATOM 13 F LIG 1 2.411 1.889 -1.410 0.00 0.00 -0.203 F ATOM 14 C LIG 1 4.319 2.542 -0.209 0.00 0.00 +0.149 A ATOM 15 N LIG 1 5.140 2.539 0.865 0.00 0.00 -0.260 NA ATOM 16 C LIG 1 4.759 1.765 1.901 0.00 0.00 +0.111 A ATOM 17 C LIG 1 3.594 1.010 1.912 0.00 0.00 +0.032 A ENDBRANCH 8 11 BRANCH 1 18 ATOM 18 N LIG 1 -1.997 0.146 -0.528 0.00 0.00 -0.330 N ATOM 19 C LIG 1 -2.639 1.264 0.183 0.00 0.00 +0.129 C BRANCH 18 21 ATOM 20 C LIG 1 -1.266 -0.949 -2.647 0.00 0.00 +0.027 C ATOM 21 C LIG 1 -1.829 0.325 -1.999 0.00 0.00 +0.067 C ATOM 22 C LIG 1 -3.178 0.632 -2.662 0.00 0.00 +0.027 C ENDBRANCH 18 21 ENDBRANCH 1 18 TORSDOF 3