REMARK Name = BDB018204 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.963 -0.762 -0.424 0.00 0.00 +0.021 A ATOM 2 C LIG 1 -0.190 0.145 -1.117 0.00 0.00 +0.117 A ATOM 3 N LIG 1 0.692 -0.588 -1.864 0.00 0.00 -0.265 N ATOM 4 N LIG 1 0.533 -1.921 -1.716 0.00 0.00 -0.179 NA ATOM 5 C LIG 1 -0.470 -2.020 -0.839 0.00 0.00 +0.143 A ENDROOT BRANCH 1 12 ATOM 6 C LIG 1 -3.662 -2.012 3.441 0.00 0.00 +0.152 C ATOM 7 N LIG 1 -3.377 -1.036 2.401 0.00 0.00 -0.318 N ATOM 8 C LIG 1 -4.114 0.143 2.357 0.00 0.00 +0.251 A ATOM 9 O LIG 1 -5.016 0.446 3.132 0.00 0.00 -0.268 OA ATOM 10 C LIG 1 -3.752 1.082 1.266 0.00 0.00 +0.071 A ATOM 11 C LIG 1 -2.769 0.781 0.409 0.00 0.00 +0.015 A ATOM 12 C LIG 1 -2.017 -0.465 0.504 0.00 0.00 +0.001 A ATOM 13 C LIG 1 -2.362 -1.312 1.496 0.00 0.00 +0.097 A ENDBRANCH 1 12 BRANCH 3 14 ATOM 14 C LIG 1 1.697 -0.070 -2.779 0.00 0.00 +0.198 C BRANCH 14 15 ATOM 15 C LIG 1 2.909 0.419 -2.032 0.00 0.00 +0.063 A ATOM 16 N LIG 1 3.138 1.758 -2.030 0.00 0.00 -0.258 NA ATOM 17 C LIG 1 4.226 2.203 -1.363 0.00 0.00 +0.111 A ATOM 18 C LIG 1 5.110 1.377 -0.692 0.00 0.00 +0.020 A ATOM 19 C LIG 1 4.867 0.009 -0.703 0.00 0.00 +0.003 A ATOM 20 C LIG 1 3.754 -0.480 -1.381 0.00 0.00 +0.025 A ENDBRANCH 14 15 ENDBRANCH 3 14 TORSDOF 3