REMARK Name = BDB018343 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.136 0.550 0.208 0.00 0.00 +0.005 A ATOM 2 C LIG 1 -1.463 -0.087 0.340 0.00 0.00 -0.030 A ATOM 3 C LIG 1 -2.567 0.666 0.176 0.00 0.00 +0.074 A ATOM 4 C LIG 1 -2.500 2.102 -0.185 0.00 0.00 +0.251 A ATOM 5 O LIG 1 -3.543 2.734 -0.322 0.00 0.00 -0.268 OA ATOM 6 N LIG 1 -1.223 2.619 -0.344 0.00 0.00 -0.318 N ATOM 7 C LIG 1 -1.062 4.022 -0.691 0.00 0.00 +0.152 C ATOM 8 C LIG 1 -0.090 1.854 -0.136 0.00 0.00 +0.097 A ENDROOT BRANCH 1 13 ATOM 9 C LIG 1 4.330 -1.520 -0.309 0.00 0.00 +0.172 C ATOM 10 N LIG 1 3.062 -1.069 0.211 0.00 0.00 -0.274 N ATOM 11 N LIG 1 2.718 -1.379 1.475 0.00 0.00 -0.179 NA ATOM 12 C LIG 1 1.510 -0.824 1.617 0.00 0.00 +0.143 A ATOM 13 C LIG 1 1.083 -0.163 0.447 0.00 0.00 +0.021 A ATOM 14 C LIG 1 2.120 -0.330 -0.445 0.00 0.00 +0.116 A ENDBRANCH 1 13 BRANCH 2 15 ATOM 15 C LIG 1 -1.532 -1.528 0.673 0.00 0.00 +0.020 C ATOM 16 C LIG 1 -1.022 -2.552 -0.313 0.00 0.00 +0.009 C ATOM 17 C LIG 1 -2.493 -2.430 -0.068 0.00 0.00 +0.009 C ENDBRANCH 2 15 TORSDOF 2