REMARK Name = BDB046207 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.369 1.113 1.229 0.00 0.00 -0.236 N ATOM 2 C LIG 1 0.813 0.671 0.709 0.00 0.00 +0.140 A ATOM 3 C LIG 1 1.357 -0.643 0.594 0.00 0.00 +0.214 C ATOM 4 C LIG 1 2.670 -0.718 -0.120 0.00 0.00 +0.035 A ATOM 5 C LIG 1 3.317 0.447 -0.584 0.00 0.00 +0.035 A ATOM 6 C LIG 1 2.724 1.807 -0.385 0.00 0.00 +0.216 C ATOM 7 O LIG 1 3.310 2.811 -0.769 0.00 0.00 -0.285 OA ATOM 8 C LIG 1 4.548 0.338 -1.244 0.00 0.00 +0.012 A ATOM 9 C LIG 1 5.129 -0.916 -1.442 0.00 0.00 +0.001 A ATOM 10 C LIG 1 4.488 -2.067 -0.983 0.00 0.00 +0.001 A ATOM 11 C LIG 1 3.262 -1.972 -0.323 0.00 0.00 +0.012 A ATOM 12 O LIG 1 0.836 -1.651 1.052 0.00 0.00 -0.285 OA ATOM 13 C LIG 1 1.440 1.817 0.278 0.00 0.00 +0.163 A ATOM 14 N LIG 1 0.680 2.903 0.593 0.00 0.00 -0.125 NA ATOM 15 N LIG 1 -0.414 2.466 1.207 0.00 0.00 -0.064 NA ENDROOT BRANCH 1 16 ATOM 16 C LIG 1 -1.463 0.359 1.819 0.00 0.00 +0.181 C BRANCH 16 19 ATOM 17 C LIG 1 -3.515 2.087 0.346 0.00 0.00 +0.044 C ATOM 18 C LIG 1 -3.365 0.609 0.101 0.00 0.00 -0.046 A ATOM 19 C LIG 1 -2.414 -0.190 0.774 0.00 0.00 -0.023 A ATOM 20 C LIG 1 -2.346 -1.562 0.465 0.00 0.00 +0.006 A ATOM 21 C LIG 1 -3.178 -2.131 -0.499 0.00 0.00 +0.000 A ATOM 22 C LIG 1 -4.094 -1.337 -1.175 0.00 0.00 +0.000 A ATOM 23 C LIG 1 -4.185 0.021 -0.880 0.00 0.00 +0.004 A ENDBRANCH 16 19 ENDBRANCH 1 16 TORSDOF 2