REMARK Name = BDB006161 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 1.534 0.492 -0.478 0.00 0.00 -0.265 N ATOM 2 C LIG 1 0.627 -0.499 -0.109 0.00 0.00 +0.048 A ATOM 3 C LIG 1 -0.541 0.193 0.135 0.00 0.00 +0.031 A ATOM 4 C LIG 1 -1.967 0.034 0.540 0.00 0.00 +0.146 C ATOM 5 N LIG 1 -2.428 1.458 0.543 0.00 0.00 -0.254 N ATOM 6 C LIG 1 -1.417 2.364 0.128 0.00 0.00 +0.272 C ATOM 7 O LIG 1 -1.481 3.576 -0.009 0.00 0.00 -0.268 OA ATOM 8 C LIG 1 -0.257 1.532 -0.090 0.00 0.00 +0.153 A ATOM 9 N LIG 1 0.994 1.744 -0.474 0.00 0.00 -0.166 NA ENDROOT BRANCH 5 10 ATOM 10 C LIG 1 -3.797 1.825 0.692 0.00 0.00 +0.042 A ATOM 11 C LIG 1 -4.653 1.251 1.657 0.00 0.00 -0.029 A ATOM 12 C LIG 1 -4.188 0.340 2.757 0.00 0.00 +0.045 C ATOM 13 C LIG 1 -6.022 1.590 1.656 0.00 0.00 +0.006 A ATOM 14 C LIG 1 -6.536 2.519 0.755 0.00 0.00 +0.020 A ATOM 15 C LIG 1 -5.683 3.126 -0.154 0.00 0.00 +0.043 A ATOM 16 CL LIG 1 -6.306 4.282 -1.266 0.00 0.00 -0.083 Cl ATOM 17 C LIG 1 -4.330 2.790 -0.184 0.00 0.00 +0.043 A ENDBRANCH 5 10 BRANCH 4 18 ATOM 18 C LIG 1 -2.611 -0.853 -0.522 0.00 0.00 -0.019 A ATOM 19 C LIG 1 -2.970 -2.200 -0.268 0.00 0.00 -0.044 A ATOM 20 C LIG 1 -2.791 -2.882 1.063 0.00 0.00 +0.044 C ATOM 21 C LIG 1 -3.577 -2.961 -1.288 0.00 0.00 +0.023 A ATOM 22 C LIG 1 -3.804 -2.419 -2.550 0.00 0.00 +0.041 A ATOM 23 CL LIG 1 -4.539 -3.377 -3.775 0.00 0.00 -0.084 Cl ATOM 24 C LIG 1 -3.440 -1.109 -2.821 0.00 0.00 +0.020 A ATOM 25 C LIG 1 -2.850 -0.337 -1.819 0.00 0.00 +0.007 A ENDBRANCH 4 18 BRANCH 2 26 ATOM 26 C LIG 1 0.875 -1.981 -0.038 0.00 0.00 +0.032 C ATOM 27 C LIG 1 0.996 -2.620 -1.420 0.00 0.00 +0.014 C ATOM 28 C LIG 1 2.026 -2.367 0.884 0.00 0.00 +0.014 C ENDBRANCH 2 26 BRANCH 1 29 ATOM 29 C LIG 1 2.920 0.378 -0.906 0.00 0.00 +0.166 C BRANCH 29 33 ATOM 30 C LIG 1 7.343 -0.574 -1.031 0.00 0.00 +0.109 C ATOM 31 C LIG 1 5.879 -0.588 -0.670 0.00 0.00 +0.213 C ATOM 32 N LIG 1 5.343 0.595 -0.208 0.00 0.00 -0.297 N ATOM 33 C LIG 1 3.931 0.723 0.200 0.00 0.00 +0.097 C ATOM 34 C LIG 1 3.833 2.186 0.668 0.00 0.00 +0.026 C ATOM 35 C LIG 1 5.232 2.490 1.180 0.00 0.00 +0.021 C ATOM 36 C LIG 1 6.114 1.770 0.175 0.00 0.00 +0.108 C ATOM 37 O LIG 1 5.213 -1.615 -0.787 0.00 0.00 -0.276 OA ENDBRANCH 29 33 ENDBRANCH 1 29 TORSDOF 5