REMARK Name = BDB018230 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 0.933 -1.289 0.634 0.00 0.00 -0.264 N ATOM 2 N LIG 1 0.686 -2.300 -0.229 0.00 0.00 -0.178 NA ATOM 3 C LIG 1 -0.594 -2.127 -0.565 0.00 0.00 +0.143 A ATOM 4 C LIG 1 -1.182 -1.016 0.078 0.00 0.00 +0.021 A ATOM 5 C LIG 1 -0.167 -0.496 0.851 0.00 0.00 +0.117 A ENDROOT BRANCH 4 6 ATOM 6 C LIG 1 -2.522 -0.517 -0.028 0.00 0.00 +0.003 A ATOM 7 C LIG 1 -2.816 0.793 0.092 0.00 0.00 +0.097 A ATOM 8 N LIG 1 -4.107 1.288 -0.016 0.00 0.00 -0.316 N ATOM 9 C LIG 1 -4.309 2.723 0.115 0.00 0.00 +0.152 C ATOM 10 C LIG 1 -5.210 0.464 -0.267 0.00 0.00 +0.269 A ATOM 11 O LIG 1 -6.360 0.881 -0.379 0.00 0.00 -0.266 OA ATOM 12 C LIG 1 -4.893 -0.995 -0.392 0.00 0.00 +0.106 A ATOM 13 CL LIG 1 -6.188 -2.093 -0.679 0.00 0.00 -0.078 Cl ATOM 14 C LIG 1 -3.631 -1.428 -0.277 0.00 0.00 +0.035 A ENDBRANCH 4 6 BRANCH 1 16 ATOM 15 C LIG 1 3.059 -2.416 1.361 0.00 0.00 +0.038 C ATOM 16 C LIG 1 2.252 -1.117 1.254 0.00 0.00 +0.134 C BRANCH 16 17 ATOM 17 C LIG 1 3.038 -0.020 0.551 0.00 0.00 -0.023 A ATOM 18 C LIG 1 3.344 -0.103 -0.817 0.00 0.00 +0.006 A ATOM 19 C LIG 1 4.072 0.908 -1.447 0.00 0.00 +0.000 A ATOM 20 C LIG 1 4.506 2.012 -0.718 0.00 0.00 +0.000 A ATOM 21 C LIG 1 4.215 2.107 0.641 0.00 0.00 +0.000 A ATOM 22 C LIG 1 3.487 1.097 1.274 0.00 0.00 +0.006 A ENDBRANCH 16 17 ENDBRANCH 1 16 TORSDOF 3