REMARK Name = BDB017610 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 2.548 1.762 -0.196 0.00 0.00 -0.325 N ATOM 2 C LIG 1 2.163 2.223 -1.550 0.00 0.00 +0.120 C ATOM 3 C LIG 1 1.043 1.331 -2.137 0.00 0.00 +0.103 C ATOM 4 N LIG 1 -0.159 1.277 -1.271 0.00 0.00 -0.295 NA ATOM 5 C LIG 1 0.242 0.819 0.085 0.00 0.00 +0.103 C ATOM 6 C LIG 1 1.374 1.680 0.698 0.00 0.00 +0.120 C ENDROOT BRANCH 1 11 ATOM 7 C LIG 1 5.825 -0.961 0.032 0.00 0.00 +0.036 A ATOM 8 C LIG 1 4.642 -1.236 0.714 0.00 0.00 +0.063 A ATOM 9 C LIG 1 3.556 -0.354 0.648 0.00 0.00 +0.146 A ATOM 10 F LIG 1 2.457 -0.717 1.328 0.00 0.00 -0.203 F ATOM 11 C LIG 1 3.589 0.833 -0.105 0.00 0.00 +0.066 A ATOM 12 C LIG 1 4.806 1.095 -0.760 0.00 0.00 +0.028 A ATOM 13 C LIG 1 5.901 0.217 -0.702 0.00 0.00 +0.025 A BRANCH 7 15 ATOM 14 C LIG 1 8.120 -1.844 -0.460 0.00 0.00 +0.217 C ATOM 15 N LIG 1 6.874 -1.896 0.145 0.00 0.00 -0.285 N ATOM 16 H LIG 1 6.690 -2.702 0.731 0.00 0.00 +0.155 HD ATOM 17 O LIG 1 8.526 -0.972 -1.219 0.00 0.00 -0.275 OA BRANCH 14 19 ATOM 18 C LIG 1 10.350 -3.012 -0.712 0.00 0.00 +0.013 C ATOM 19 C LIG 1 8.974 -3.042 -0.070 0.00 0.00 +0.093 C ENDBRANCH 14 19 ENDBRANCH 7 15 ENDBRANCH 1 11 BRANCH 4 20 ATOM 20 C LIG 1 -1.170 0.388 -1.864 0.00 0.00 +0.119 C BRANCH 20 21 ATOM 21 C LIG 1 -2.511 0.463 -1.167 0.00 0.00 -0.031 A ATOM 22 C LIG 1 -3.078 -0.676 -0.581 0.00 0.00 +0.031 A ATOM 23 C LIG 1 -4.319 -0.593 0.059 0.00 0.00 +0.051 A ATOM 24 C LIG 1 -5.037 0.612 0.117 0.00 0.00 +0.020 A ATOM 25 C LIG 1 -6.355 0.623 0.796 0.00 0.00 +0.045 A ATOM 26 N LIG 1 -7.123 1.786 0.786 0.00 0.00 -0.343 N ATOM 27 H LIG 1 -6.962 2.365 -0.034 0.00 0.00 +0.146 HD ATOM 28 C LIG 1 -8.521 1.761 1.200 0.00 0.00 +0.102 C ATOM 29 C LIG 1 -8.671 0.862 2.421 0.00 0.00 +0.023 C ATOM 30 C LIG 1 -8.111 -0.536 2.139 0.00 0.00 +0.044 C ATOM 31 C LIG 1 -6.797 -0.497 1.404 0.00 0.00 +0.038 A ATOM 32 C LIG 1 -6.018 -1.763 1.356 0.00 0.00 +0.254 A ATOM 33 O LIG 1 -6.418 -2.792 1.894 0.00 0.00 -0.268 OA ATOM 34 C LIG 1 -4.452 1.750 -0.454 0.00 0.00 +0.012 A ATOM 35 N LIG 1 -4.839 -1.739 0.669 0.00 0.00 -0.322 N ATOM 36 H LIG 1 -4.327 -2.609 0.649 0.00 0.00 +0.169 HD ATOM 37 C LIG 1 -3.209 1.675 -1.093 0.00 0.00 +0.005 A ENDBRANCH 20 21 ENDBRANCH 4 20 TORSDOF 5