REMARK Name = BDB015420 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 O LIG 1 1.397 0.421 -1.511 0.00 0.00 -0.270 OA ATOM 2 C LIG 1 2.259 0.085 -0.706 0.00 0.00 +0.254 C ATOM 3 N LIG 1 2.075 -0.594 0.505 0.00 0.00 -0.238 N ATOM 4 C LIG 1 0.922 -0.703 1.303 0.00 0.00 +0.188 C ATOM 5 N LIG 1 1.118 -1.274 2.461 0.00 0.00 -0.254 NA ATOM 6 C LIG 1 2.512 -1.727 2.487 0.00 0.00 +0.164 C ATOM 7 C LIG 1 3.176 -1.044 1.319 0.00 0.00 +0.140 C ENDROOT BRANCH 2 8 ATOM 8 C LIG 1 3.648 0.326 -1.139 0.00 0.00 +0.056 A ATOM 9 C LIG 1 4.351 1.465 -0.735 0.00 0.00 +0.053 A ATOM 10 CL LIG 1 3.665 2.650 0.314 0.00 0.00 -0.083 Cl ATOM 11 C LIG 1 5.659 1.658 -1.185 0.00 0.00 +0.021 A ATOM 12 C LIG 1 6.253 0.727 -2.042 0.00 0.00 +0.001 A ATOM 13 C LIG 1 5.540 -0.399 -2.458 0.00 0.00 +0.001 A ATOM 14 C LIG 1 4.234 -0.599 -2.013 0.00 0.00 +0.014 A ENDBRANCH 2 8 BRANCH 4 15 ATOM 15 N LIG 1 -0.320 -0.227 0.951 0.00 0.00 -0.301 N ATOM 16 C LIG 1 -0.919 -0.549 -0.356 0.00 0.00 +0.123 C ATOM 17 C LIG 1 -2.350 -1.115 -0.211 0.00 0.00 +0.103 C ATOM 18 N LIG 1 -3.313 -0.232 0.493 0.00 0.00 -0.296 NA ATOM 19 C LIG 1 -2.595 0.636 1.462 0.00 0.00 +0.103 C ATOM 20 C LIG 1 -1.308 0.001 2.025 0.00 0.00 +0.123 C BRANCH 18 21 ATOM 21 C LIG 1 -4.032 0.611 -0.474 0.00 0.00 +0.057 C ATOM 22 C LIG 1 -5.113 -0.231 -1.205 0.00 0.00 +0.019 C ATOM 23 C LIG 1 -6.061 0.973 -1.013 0.00 0.00 +0.003 C ATOM 24 C LIG 1 -5.215 1.334 0.226 0.00 0.00 +0.019 C ENDBRANCH 18 21 ENDBRANCH 4 15 TORSDOF 3