REMARK Name = BDB001409 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -4.542 -0.227 1.945 0.00 0.00 +0.117 A ATOM 2 C LIG 1 -3.240 -0.355 1.462 0.00 0.00 +0.054 A ATOM 3 C LIG 1 -2.775 0.450 0.394 0.00 0.00 -0.007 A ATOM 4 C LIG 1 -3.685 1.383 -0.170 0.00 0.00 -0.017 A ATOM 5 C LIG 1 -3.282 2.198 -1.236 0.00 0.00 +0.012 A ATOM 6 C LIG 1 -1.999 2.095 -1.764 0.00 0.00 +0.046 A ATOM 7 C LIG 1 -1.101 1.177 -1.231 0.00 0.00 +0.127 A ATOM 8 O LIG 1 0.132 1.136 -1.821 0.00 0.00 -0.476 OA ATOM 9 C LIG 1 0.926 0.002 -1.454 0.00 0.00 +0.319 C ATOM 10 N LIG 1 0.938 -0.250 -0.016 0.00 0.00 -0.262 NA ATOM 11 C LIG 1 -0.426 -0.590 0.399 0.00 0.00 +0.127 C ATOM 12 C LIG 1 -4.991 1.492 0.336 0.00 0.00 +0.012 A ATOM 13 C LIG 1 -1.456 0.372 -0.141 0.00 0.00 +0.016 A ATOM 14 C LIG 1 -5.419 0.689 1.391 0.00 0.00 +0.046 A ENDROOT BRANCH 1 15 ATOM 15 O LIG 1 -4.999 -0.996 2.975 0.00 0.00 -0.507 OA ATOM 16 H LIG 1 -4.276 -1.563 3.290 0.00 0.00 +0.292 HD ENDBRANCH 1 15 BRANCH 10 17 ATOM 17 C LIG 1 1.861 -1.335 0.340 0.00 0.00 +0.123 C BRANCH 17 18 ATOM 18 C LIG 1 3.322 -0.975 0.164 0.00 0.00 -0.033 A ATOM 19 C LIG 1 3.848 0.185 0.754 0.00 0.00 +0.005 A ATOM 20 C LIG 1 5.197 0.507 0.607 0.00 0.00 +0.000 A ATOM 21 C LIG 1 6.038 -0.329 -0.125 0.00 0.00 +0.000 A ATOM 22 C LIG 1 5.530 -1.487 -0.710 0.00 0.00 +0.000 A ATOM 23 C LIG 1 4.180 -1.812 -0.564 0.00 0.00 +0.005 A ENDBRANCH 17 18 ENDBRANCH 10 17 TORSDOF 3