REMARK Name = BDB042884 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.970 0.421 -1.584 0.00 0.00 +0.261 A ATOM 2 C LIG 1 1.677 0.529 -1.040 0.00 0.00 +0.096 A ATOM 3 C LIG 1 1.352 1.774 -0.495 0.00 0.00 +0.050 A ATOM 4 C LIG 1 2.281 2.800 -0.539 0.00 0.00 +0.137 A ATOM 5 N LIG 1 3.498 2.659 -1.094 0.00 0.00 -0.154 NA ATOM 6 N LIG 1 3.843 1.458 -1.631 0.00 0.00 -0.109 NA ENDROOT BRANCH 2 7 ATOM 7 N LIG 1 0.749 -0.519 -1.108 0.00 0.00 -0.325 N ATOM 8 C LIG 1 -0.215 -0.735 -0.012 0.00 0.00 +0.114 C ATOM 9 C LIG 1 -1.560 -0.951 -0.711 0.00 0.00 +0.013 C ATOM 10 C LIG 1 -2.654 -1.708 0.076 0.00 0.00 +0.094 C ATOM 11 N LIG 1 -3.067 -0.392 0.644 0.00 0.00 -0.298 NA ATOM 12 C LIG 1 -2.552 0.237 -0.605 0.00 0.00 +0.094 C ATOM 13 C LIG 1 -1.198 -1.411 -2.114 0.00 0.00 +0.030 C ATOM 14 C LIG 1 0.053 -0.584 -2.408 0.00 0.00 +0.106 C BRANCH 11 15 ATOM 15 C LIG 1 -4.533 -0.261 0.803 0.00 0.00 +0.059 C BRANCH 15 16 ATOM 16 C LIG 1 -5.091 -1.155 1.973 0.00 0.00 -0.000 C ATOM 17 C LIG 1 -5.195 -2.644 1.627 0.00 0.00 +0.009 C ATOM 18 C LIG 1 -4.335 -0.979 3.297 0.00 0.00 +0.009 C ENDBRANCH 15 16 BRANCH 15 19 ATOM 19 C LIG 1 -4.915 1.220 1.124 0.00 0.00 +0.020 C BRANCH 19 20 ATOM 20 C LIG 1 -5.021 2.201 -0.048 0.00 0.00 +0.017 C BRANCH 20 21 ATOM 21 C LIG 1 -5.969 1.828 -1.201 0.00 0.00 +0.084 C BRANCH 21 22 ATOM 22 N LIG 1 -7.413 1.776 -0.964 0.00 0.00 -0.308 NA ATOM 23 C LIG 1 -7.940 2.937 -0.260 0.00 0.00 +0.104 C ATOM 24 C LIG 1 -7.891 0.529 -0.390 0.00 0.00 +0.104 C ENDBRANCH 21 22 ENDBRANCH 20 21 ENDBRANCH 19 20 ENDBRANCH 15 19 ENDBRANCH 11 15 ENDBRANCH 2 7 BRANCH 1 25 ATOM 25 O LIG 1 3.396 -0.743 -2.199 0.00 0.00 -0.435 OA BRANCH 25 27 ATOM 26 C LIG 1 5.130 -1.735 -0.783 0.00 0.00 +0.082 A ATOM 27 C LIG 1 3.843 -1.726 -1.345 0.00 0.00 +0.143 A ATOM 28 C LIG 1 3.001 -2.830 -1.152 0.00 0.00 +0.050 A ATOM 29 C LIG 1 3.420 -3.913 -0.380 0.00 0.00 +0.042 A ATOM 30 C LIG 1 4.699 -3.909 0.164 0.00 0.00 +0.124 A ATOM 31 F LIG 1 5.109 -4.960 0.882 0.00 0.00 -0.205 F ATOM 32 C LIG 1 5.565 -2.845 -0.047 0.00 0.00 +0.055 A BRANCH 26 34 ATOM 33 N LIG 1 6.541 0.195 -0.086 0.00 0.00 -0.295 N ATOM 34 C LIG 1 6.113 -0.682 -1.095 0.00 0.00 +0.250 C ATOM 35 O LIG 1 6.544 -0.668 -2.248 0.00 0.00 -0.270 OA BRANCH 33 36 ATOM 36 C LIG 1 7.516 1.232 -0.484 0.00 0.00 +0.070 C ATOM 37 C LIG 1 8.943 0.764 -0.189 0.00 0.00 +0.028 C ATOM 38 C LIG 1 7.250 2.607 0.129 0.00 0.00 +0.028 C ENDBRANCH 33 36 BRANCH 33 40 ATOM 39 C LIG 1 4.830 0.694 1.674 0.00 0.00 +0.024 C ATOM 40 C LIG 1 6.176 0.077 1.334 0.00 0.00 +0.105 C ENDBRANCH 33 40 ENDBRANCH 26 34 ENDBRANCH 25 27 ENDBRANCH 1 25 TORSDOF 12