REMARK Name = BDB011364 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.338 -0.615 0.880 0.00 0.00 +0.057 A ATOM 2 N LIG 1 0.444 -0.572 -0.201 0.00 0.00 -0.338 N ATOM 3 C LIG 1 -0.794 -0.859 0.296 0.00 0.00 +0.057 A ATOM 4 C LIG 1 -2.188 -0.999 -0.218 0.00 0.00 +0.159 C ATOM 5 N LIG 1 -2.868 -1.476 1.036 0.00 0.00 -0.250 N ATOM 6 C LIG 1 -1.987 -1.505 2.146 0.00 0.00 +0.254 C ATOM 7 O LIG 1 -2.203 -1.813 3.306 0.00 0.00 -0.270 OA ATOM 8 C LIG 1 -0.701 -1.134 1.628 0.00 0.00 +0.061 A ATOM 9 C LIG 1 0.624 -0.975 2.022 0.00 0.00 +0.041 A ENDROOT BRANCH 5 10 ATOM 10 C LIG 1 -4.215 -1.846 1.085 0.00 0.00 +0.104 A ATOM 11 C LIG 1 -4.960 -2.234 -0.188 0.00 0.00 +0.270 A ATOM 12 O LIG 1 -4.417 -2.349 -1.283 0.00 0.00 -0.266 OA ATOM 13 N LIG 1 -6.304 -2.505 -0.064 0.00 0.00 -0.326 N ATOM 14 H LIG 1 -6.781 -2.759 -0.921 0.00 0.00 +0.168 HD ATOM 15 C LIG 1 -6.978 -2.520 1.127 0.00 0.00 +0.106 A ATOM 16 C LIG 1 -6.333 -2.241 2.264 0.00 0.00 +0.059 A ATOM 17 CL LIG 1 -7.150 -2.260 3.778 0.00 0.00 -0.082 Cl ATOM 18 C LIG 1 -4.929 -1.897 2.230 0.00 0.00 +0.050 A ENDBRANCH 5 10 BRANCH 1 20 ATOM 19 C LIG 1 3.350 0.890 0.699 0.00 0.00 +0.228 A ATOM 20 C LIG 1 2.775 -0.361 0.786 0.00 0.00 +0.078 A ATOM 21 C LIG 1 3.684 -1.392 0.796 0.00 0.00 +0.129 A ATOM 22 N LIG 1 5.020 -1.223 0.702 0.00 0.00 -0.222 NA ATOM 23 C LIG 1 5.490 0.033 0.606 0.00 0.00 +0.220 A ATOM 24 N LIG 1 4.679 1.103 0.598 0.00 0.00 -0.179 NA BRANCH 23 25 ATOM 25 N LIG 1 6.869 0.232 0.536 0.00 0.00 -0.306 N ATOM 26 C LIG 1 7.632 -0.935 0.125 0.00 0.00 +0.132 C ATOM 27 C LIG 1 7.270 1.512 -0.023 0.00 0.00 +0.132 C ENDBRANCH 23 25 BRANCH 19 29 ATOM 28 C LIG 1 3.187 3.232 0.742 0.00 0.00 +0.279 C ATOM 29 O LIG 1 2.503 1.985 0.702 0.00 0.00 -0.479 OA ENDBRANCH 19 29 ENDBRANCH 1 20 BRANCH 4 30 ATOM 30 C LIG 1 -2.774 0.320 -0.708 0.00 0.00 -0.021 A ATOM 31 C LIG 1 -3.310 0.414 -2.003 0.00 0.00 +0.007 A ATOM 32 C LIG 1 -3.859 1.612 -2.470 0.00 0.00 +0.019 A ATOM 33 C LIG 1 -3.881 2.741 -1.647 0.00 0.00 +0.052 A ATOM 34 C LIG 1 -3.354 2.665 -0.356 0.00 0.00 +0.019 A ATOM 35 C LIG 1 -2.808 1.465 0.110 0.00 0.00 +0.007 A BRANCH 33 36 ATOM 36 C LIG 1 -4.442 3.970 -2.126 0.00 0.00 +0.099 C ATOM 37 N LIG 1 -4.896 4.964 -2.517 0.00 0.00 -0.191 NA ENDBRANCH 33 36 ENDBRANCH 4 30 BRANCH 2 38 ATOM 38 C LIG 1 0.825 -0.332 -1.595 0.00 0.00 +0.081 C ATOM 39 C LIG 1 0.277 -1.383 -2.562 0.00 0.00 +0.030 C ATOM 40 C LIG 1 0.498 1.085 -2.059 0.00 0.00 +0.030 C ENDBRANCH 2 38 TORSDOF 7