REMARK Name = BDB064383 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -3.358 -2.526 -1.255 0.00 0.00 +0.215 C ATOM 2 N LIG 1 -2.514 -1.885 -0.369 0.00 0.00 -0.315 N ATOM 3 H LIG 1 -2.948 -1.253 0.297 0.00 0.00 +0.149 HD ATOM 4 O LIG 1 -3.117 -3.619 -1.761 0.00 0.00 -0.276 OA ENDROOT BRANCH 1 5 ATOM 5 C LIG 1 -4.631 -1.764 -1.572 0.00 0.00 +0.130 C BRANCH 5 13 ATOM 6 C LIG 1 -6.256 4.211 -2.058 0.00 0.00 +0.052 C ATOM 7 C LIG 1 -6.383 2.838 -1.474 0.00 0.00 -0.008 A ATOM 8 C LIG 1 -6.979 1.714 -2.028 0.00 0.00 -0.029 A ATOM 9 C LIG 1 -7.586 1.697 -3.402 0.00 0.00 +0.045 C ATOM 10 C LIG 1 -6.934 0.576 -1.113 0.00 0.00 +0.035 A ATOM 11 C LIG 1 -7.606 -0.715 -1.307 0.00 0.00 +0.076 C ATOM 12 N LIG 1 -7.060 -1.851 -1.065 0.00 0.00 -0.271 NA ATOM 13 C LIG 1 -5.713 -2.054 -0.532 0.00 0.00 +0.183 C ATOM 14 C LIG 1 -5.495 -1.349 0.768 0.00 0.00 +0.163 A ATOM 15 N LIG 1 -5.710 0.006 0.976 0.00 0.00 -0.275 N ATOM 16 C LIG 1 -5.265 0.213 2.279 0.00 0.00 +0.135 A ATOM 17 C LIG 1 -5.383 1.463 3.068 0.00 0.00 +0.088 C ATOM 18 N LIG 1 -4.768 -0.908 2.761 0.00 0.00 -0.134 NA ATOM 19 N LIG 1 -4.913 -1.880 1.821 0.00 0.00 -0.132 NA ATOM 20 C LIG 1 -6.174 0.892 -0.002 0.00 0.00 +0.097 A ATOM 21 S LIG 1 -5.714 2.517 0.058 0.00 0.00 -0.075 S BRANCH 11 22 ATOM 22 C LIG 1 -9.028 -0.715 -1.773 0.00 0.00 +0.001 A ATOM 23 C LIG 1 -9.476 -1.757 -2.597 0.00 0.00 +0.011 A ATOM 24 C LIG 1 -10.805 -1.792 -3.029 0.00 0.00 +0.020 A ATOM 25 C LIG 1 -11.689 -0.792 -2.628 0.00 0.00 +0.041 A ATOM 26 CL LIG 1 -13.325 -0.831 -3.163 0.00 0.00 -0.084 Cl ATOM 27 C LIG 1 -11.260 0.238 -1.792 0.00 0.00 +0.020 A ATOM 28 C LIG 1 -9.932 0.274 -1.357 0.00 0.00 +0.011 A ENDBRANCH 11 22 ENDBRANCH 5 13 ENDBRANCH 1 5 BRANCH 2 29 ATOM 29 C LIG 1 -1.312 -2.533 0.129 0.00 0.00 +0.105 C BRANCH 29 30 ATOM 30 C LIG 1 -0.211 -2.621 -0.926 0.00 0.00 +0.034 C BRANCH 30 31 ATOM 31 C LIG 1 1.111 -3.135 -0.340 0.00 0.00 +0.086 C BRANCH 31 32 ATOM 32 N LIG 1 1.691 -2.276 0.705 0.00 0.00 -0.302 NA ATOM 33 C LIG 1 2.138 -0.975 0.200 0.00 0.00 +0.085 C ATOM 34 C LIG 1 2.657 -0.102 1.344 0.00 0.00 +0.023 C ATOM 35 C LIG 1 3.768 -0.787 2.160 0.00 0.00 +0.021 C ATOM 36 C LIG 1 4.026 -2.221 1.678 0.00 0.00 +0.023 C ATOM 37 C LIG 1 2.719 -2.990 1.479 0.00 0.00 +0.085 C BRANCH 35 38 ATOM 38 C LIG 1 5.059 0.022 2.183 0.00 0.00 -0.044 A ATOM 39 C LIG 1 5.760 0.305 0.994 0.00 0.00 +0.009 A ATOM 40 C LIG 1 6.944 1.020 1.071 0.00 0.00 -0.018 A ATOM 41 C LIG 1 7.868 1.451 -0.018 0.00 0.00 +0.144 C ATOM 42 N LIG 1 8.982 2.037 0.723 0.00 0.00 -0.282 N ATOM 43 C LIG 1 8.680 2.174 2.073 0.00 0.00 +0.248 C ATOM 44 O LIG 1 9.310 2.766 2.928 0.00 0.00 -0.270 OA ATOM 45 C LIG 1 7.418 1.462 2.301 0.00 0.00 +0.042 A ATOM 46 C LIG 1 6.755 1.219 3.487 0.00 0.00 +0.013 A ATOM 47 C LIG 1 5.567 0.487 3.421 0.00 0.00 +0.004 A BRANCH 42 48 ATOM 48 C LIG 1 10.092 2.753 0.086 0.00 0.00 +0.163 C ATOM 49 C LIG 1 10.120 2.570 -1.440 0.00 0.00 +0.240 C ATOM 50 O LIG 1 9.294 3.094 -2.188 0.00 0.00 -0.273 OA ATOM 51 N LIG 1 11.015 1.652 -1.938 0.00 0.00 -0.255 N ATOM 52 H LIG 1 10.934 1.461 -2.927 0.00 0.00 +0.158 HD ATOM 53 C LIG 1 11.687 0.699 -1.219 0.00 0.00 +0.219 C ATOM 54 O LIG 1 12.134 -0.306 -1.764 0.00 0.00 -0.275 OA ATOM 55 C LIG 1 11.775 0.909 0.273 0.00 0.00 +0.098 C ATOM 56 C LIG 1 11.458 2.347 0.651 0.00 0.00 +0.041 C ENDBRANCH 42 48 ENDBRANCH 35 38 ENDBRANCH 31 32 ENDBRANCH 30 31 ENDBRANCH 29 30 ENDBRANCH 2 29 TORSDOF 9