REMARK Name = BDB039303 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.428 -0.444 -0.768 0.00 0.00 +0.025 A ATOM 2 C LIG 1 0.766 -0.565 -2.162 0.00 0.00 +0.145 A ATOM 3 N LIG 1 2.101 -0.407 -2.516 0.00 0.00 -0.306 N ATOM 4 C LIG 1 2.177 -0.574 -3.875 0.00 0.00 +0.112 A ATOM 5 C LIG 1 0.889 -0.816 -4.289 0.00 0.00 +0.131 A ATOM 6 C LIG 1 3.117 -0.124 -1.612 0.00 0.00 +0.097 A ATOM 7 C LIG 1 2.825 -0.001 -0.304 0.00 0.00 -0.016 A ATOM 8 N LIG 1 0.021 -0.800 -3.228 0.00 0.00 -0.235 NA ATOM 9 C LIG 1 1.426 -0.156 0.105 0.00 0.00 +0.018 A ENDROOT BRANCH 1 16 ATOM 10 N LIG 1 -5.556 -0.005 0.035 0.00 0.00 -0.282 N ATOM 11 C LIG 1 -4.970 -0.781 1.024 0.00 0.00 +0.248 C ATOM 12 O LIG 1 -5.499 -1.316 1.979 0.00 0.00 -0.270 OA ATOM 13 C LIG 1 -3.535 -0.833 0.727 0.00 0.00 +0.042 A ATOM 14 C LIG 1 -3.291 -0.017 -0.373 0.00 0.00 -0.017 A ATOM 15 C LIG 1 -2.005 0.123 -0.868 0.00 0.00 +0.014 A ATOM 16 C LIG 1 -0.955 -0.573 -0.241 0.00 0.00 -0.014 A ATOM 17 C LIG 1 -1.237 -1.408 0.870 0.00 0.00 +0.009 A ATOM 18 C LIG 1 -2.536 -1.538 1.369 0.00 0.00 +0.014 A ATOM 19 C LIG 1 -4.562 0.609 -0.836 0.00 0.00 +0.144 C BRANCH 10 26 ATOM 20 O LIG 1 -10.596 1.445 1.722 0.00 0.00 -0.275 OA ATOM 21 C LIG 1 -9.504 1.099 1.280 0.00 0.00 +0.219 C ATOM 22 N LIG 1 -8.360 1.780 1.611 0.00 0.00 -0.255 N ATOM 23 H LIG 1 -8.473 2.548 2.257 0.00 0.00 +0.158 HD ATOM 24 C LIG 1 -7.095 1.612 1.093 0.00 0.00 +0.240 C ATOM 25 O LIG 1 -6.201 2.410 1.373 0.00 0.00 -0.273 OA ATOM 26 C LIG 1 -6.932 0.476 0.071 0.00 0.00 +0.163 C ATOM 27 C LIG 1 -7.963 -0.624 0.322 0.00 0.00 +0.041 C ATOM 28 C LIG 1 -9.360 -0.025 0.280 0.00 0.00 +0.098 C ENDBRANCH 10 26 ENDBRANCH 1 16 BRANCH 7 29 ATOM 29 C LIG 1 3.858 0.322 0.744 0.00 0.00 +0.117 C BRANCH 29 30 ATOM 30 N LIG 1 4.183 -0.872 1.527 0.00 0.00 -0.312 NA ATOM 31 H LIG 1 3.354 -1.137 2.057 0.00 0.00 +0.122 HD BRANCH 30 32 ATOM 32 C LIG 1 5.290 -0.642 2.460 0.00 0.00 +0.086 C BRANCH 32 33 ATOM 33 C LIG 1 6.643 -1.171 1.948 0.00 0.00 +0.053 C BRANCH 33 34 ATOM 34 C LIG 1 7.255 -0.389 0.804 0.00 0.00 -0.010 A ATOM 35 C LIG 1 7.905 0.841 1.032 0.00 0.00 +0.046 A ATOM 36 CL LIG 1 8.067 1.517 2.618 0.00 0.00 -0.083 Cl ATOM 37 C LIG 1 8.459 1.578 -0.022 0.00 0.00 +0.020 A ATOM 38 C LIG 1 8.379 1.105 -1.328 0.00 0.00 +0.003 A ATOM 39 C LIG 1 7.745 -0.108 -1.578 0.00 0.00 +0.020 A ATOM 40 C LIG 1 7.188 -0.848 -0.527 0.00 0.00 +0.046 A ATOM 41 CL LIG 1 6.418 -2.335 -0.963 0.00 0.00 -0.083 Cl ENDBRANCH 33 34 ENDBRANCH 32 33 ENDBRANCH 30 32 ENDBRANCH 29 30 ENDBRANCH 7 29 TORSDOF 7