REMARK Name = BDB023999 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -3.299 5.788 0.785 0.00 0.00 +0.109 C ATOM 2 C LIG 1 -2.272 4.781 1.235 0.00 0.00 +0.213 C ATOM 3 N LIG 1 -2.544 3.439 0.996 0.00 0.00 -0.297 N ATOM 4 C LIG 1 -1.551 2.482 1.520 0.00 0.00 +0.146 C ATOM 5 C LIG 1 -1.751 1.138 0.915 0.00 0.00 +0.018 A ATOM 6 C LIG 1 -0.961 -0.037 0.983 0.00 0.00 +0.098 A ATOM 7 N LIG 1 -1.520 -1.029 0.270 0.00 0.00 -0.170 NA ATOM 8 N LIG 1 -2.628 -0.492 -0.276 0.00 0.00 -0.264 N ATOM 9 C LIG 1 -2.820 0.800 0.114 0.00 0.00 +0.046 A ATOM 10 C LIG 1 -3.911 1.730 -0.263 0.00 0.00 +0.074 C ATOM 11 C LIG 1 -3.903 2.925 0.714 0.00 0.00 +0.114 C ATOM 12 O LIG 1 -1.236 5.159 1.784 0.00 0.00 -0.276 OA ENDROOT BRANCH 6 13 ATOM 13 C LIG 1 0.296 -0.240 1.699 0.00 0.00 +0.006 A ATOM 14 C LIG 1 1.466 -0.676 1.043 0.00 0.00 -0.025 A ATOM 15 C LIG 1 1.513 -0.977 -0.436 0.00 0.00 +0.132 C ATOM 16 C LIG 1 2.878 -0.792 -1.085 0.00 0.00 +0.220 C ATOM 17 N LIG 1 3.999 -0.906 -0.262 0.00 0.00 -0.294 N ATOM 18 C LIG 1 3.841 -1.452 1.081 0.00 0.00 +0.143 C ATOM 19 O LIG 1 2.948 -0.576 -2.296 0.00 0.00 -0.275 OA ATOM 20 C LIG 1 2.638 -0.895 1.787 0.00 0.00 -0.026 A ATOM 21 C LIG 1 2.650 -0.663 3.168 0.00 0.00 +0.005 A ATOM 22 C LIG 1 1.502 -0.210 3.811 0.00 0.00 +0.001 A ATOM 23 C LIG 1 0.330 -0.005 3.083 0.00 0.00 +0.010 A BRANCH 17 24 ATOM 24 C LIG 1 5.396 -0.784 -0.771 0.00 0.00 +0.076 C ATOM 25 C LIG 1 5.790 -1.662 -1.981 0.00 0.00 +0.022 C ATOM 26 C LIG 1 6.645 -0.473 -2.470 0.00 0.00 +0.004 C ATOM 27 C LIG 1 5.734 0.453 -1.635 0.00 0.00 +0.022 C ENDBRANCH 17 24 ENDBRANCH 6 13 BRANCH 8 28 ATOM 28 C LIG 1 -3.459 -1.288 -1.178 0.00 0.00 +0.112 C ATOM 29 C LIG 1 -4.198 -2.408 -0.437 0.00 0.00 +0.055 C ATOM 30 C LIG 1 -3.342 -3.657 -0.281 0.00 0.00 +0.162 C ATOM 31 O LIG 1 -2.849 -4.074 -1.553 0.00 0.00 -0.380 OA ATOM 32 C LIG 1 -1.949 -3.114 -2.105 0.00 0.00 +0.162 C ATOM 33 C LIG 1 -2.679 -1.809 -2.393 0.00 0.00 +0.055 C ENDBRANCH 8 28 TORSDOF 3