REMARK Name = BDB016924 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 1.537 0.747 0.100 0.00 0.00 -0.237 N ATOM 2 C LIG 1 0.632 -0.371 0.484 0.00 0.00 +0.162 C ATOM 3 C LIG 1 -0.669 0.268 0.205 0.00 0.00 +0.077 A ATOM 4 C LIG 1 -0.547 1.516 -0.311 0.00 0.00 +0.150 A ATOM 5 N LIG 1 -1.754 2.067 -0.562 0.00 0.00 -0.223 NA ATOM 6 C LIG 1 -2.637 1.146 -0.183 0.00 0.00 +0.138 A ATOM 7 N LIG 1 -2.002 0.006 0.318 0.00 0.00 -0.323 N ATOM 8 C LIG 1 0.847 1.879 -0.416 0.00 0.00 +0.273 C ATOM 9 O LIG 1 1.265 2.943 -0.841 0.00 0.00 -0.268 OA ENDROOT BRANCH 1 19 ATOM 10 C LIG 1 5.607 -1.554 1.824 0.00 0.00 +0.046 C ATOM 11 C LIG 1 4.970 -0.397 1.120 0.00 0.00 -0.016 A ATOM 12 C LIG 1 5.685 0.691 0.607 0.00 0.00 +0.134 A ATOM 13 N LIG 1 7.019 1.004 0.588 0.00 0.00 -0.128 NA ATOM 14 N LIG 1 7.159 2.175 -0.029 0.00 0.00 -0.063 NA ATOM 15 N LIG 1 5.926 2.590 -0.392 0.00 0.00 -0.230 N ATOM 16 C LIG 1 5.749 3.837 -1.082 0.00 0.00 +0.176 C ATOM 17 C LIG 1 4.968 1.695 -0.018 0.00 0.00 +0.180 A ATOM 18 N LIG 1 3.642 1.766 -0.207 0.00 0.00 -0.211 NA ATOM 19 C LIG 1 2.943 0.723 0.278 0.00 0.00 +0.131 A ATOM 20 C LIG 1 3.569 -0.348 0.939 0.00 0.00 +0.049 A ENDBRANCH 1 19 BRANCH 2 21 ATOM 21 C LIG 1 0.844 -1.638 -0.332 0.00 0.00 -0.021 A ATOM 22 C LIG 1 0.890 -2.886 0.315 0.00 0.00 +0.007 A ATOM 23 C LIG 1 1.075 -4.062 -0.416 0.00 0.00 +0.020 A ATOM 24 C LIG 1 1.211 -4.004 -1.801 0.00 0.00 +0.041 A ATOM 25 CL LIG 1 1.435 -5.454 -2.698 0.00 0.00 -0.084 Cl ATOM 26 C LIG 1 1.164 -2.780 -2.461 0.00 0.00 +0.020 A ATOM 27 C LIG 1 0.979 -1.603 -1.731 0.00 0.00 +0.007 A ENDBRANCH 2 21 BRANCH 6 28 ATOM 28 C LIG 1 -4.053 1.257 -0.278 0.00 0.00 -0.005 C ATOM 29 C LIG 1 -4.958 1.712 0.844 0.00 0.00 +0.066 C ATOM 30 C LIG 1 -6.255 2.307 0.302 0.00 0.00 +0.165 C ATOM 31 O LIG 1 -6.838 1.391 -0.627 0.00 0.00 -0.375 OA ATOM 32 C LIG 1 -6.043 1.272 -1.810 0.00 0.00 +0.187 C ATOM 33 C LIG 1 -4.585 1.094 -1.508 0.00 0.00 +0.008 C ENDBRANCH 6 28 BRANCH 7 34 ATOM 34 C LIG 1 -2.555 -1.220 0.883 0.00 0.00 +0.083 C ATOM 35 C LIG 1 -2.888 -1.060 2.366 0.00 0.00 +0.030 C ATOM 36 C LIG 1 -3.704 -1.851 0.097 0.00 0.00 +0.030 C ENDBRANCH 7 34 TORSDOF 4