REMARK Name = BDB005764 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.017 0.397 -0.896 0.00 0.00 -0.310 N ATOM 2 C LIG 1 0.045 1.674 -0.356 0.00 0.00 +0.096 A ATOM 3 C LIG 1 1.304 1.716 0.239 0.00 0.00 +0.095 A ATOM 4 C LIG 1 1.716 2.826 0.977 0.00 0.00 +0.061 A ATOM 5 C LIG 1 0.805 3.860 1.066 0.00 0.00 +0.112 A ATOM 6 N LIG 1 -0.408 3.845 0.467 0.00 0.00 -0.241 NA ATOM 7 N LIG 1 2.018 0.581 -0.018 0.00 0.00 -0.214 NA ATOM 8 C LIG 1 -0.812 2.778 -0.271 0.00 0.00 +0.099 A ATOM 9 C LIG 1 1.236 -0.177 -0.747 0.00 0.00 +0.200 A ENDROOT BRANCH 9 10 ATOM 10 N LIG 1 1.556 -1.381 -1.303 0.00 0.00 -0.293 N ATOM 11 C LIG 1 2.496 -2.269 -0.522 0.00 0.00 +0.107 C ATOM 12 C LIG 1 3.953 -2.021 -0.976 0.00 0.00 +0.152 C ATOM 13 C LIG 1 4.935 -2.797 -0.086 0.00 0.00 +0.114 C ATOM 14 N LIG 1 4.723 -2.682 1.360 0.00 0.00 -0.313 NA ATOM 15 H LIG 1 5.578 -2.357 1.812 0.00 0.00 +0.122 HD ATOM 16 C LIG 1 3.607 -1.812 1.719 0.00 0.00 +0.083 C ATOM 17 O LIG 1 4.173 -2.403 -2.352 0.00 0.00 -0.372 OA ATOM 18 C LIG 1 2.979 -2.354 -3.146 0.00 0.00 +0.179 C ATOM 19 C LIG 1 2.327 -2.242 1.008 0.00 0.00 +0.040 C ATOM 20 C LIG 1 2.015 -1.235 -2.724 0.00 0.00 +0.136 C ENDBRANCH 9 10 BRANCH 5 21 ATOM 21 C LIG 1 1.108 5.091 1.837 0.00 0.00 +0.201 A ATOM 22 N LIG 1 2.344 5.351 2.295 0.00 0.00 -0.270 N ATOM 23 H LIG 1 3.204 4.847 2.184 0.00 0.00 +0.174 HD ATOM 24 C LIG 1 2.283 6.536 2.923 0.00 0.00 +0.440 A ATOM 25 O LIG 1 3.225 7.105 3.449 0.00 0.00 -0.221 OA ATOM 26 O LIG 1 0.995 6.995 2.868 0.00 0.00 -0.295 OA ATOM 27 N LIG 1 0.253 6.015 2.137 0.00 0.00 -0.053 NA ENDBRANCH 5 21 BRANCH 8 28 ATOM 28 C LIG 1 -2.103 2.924 -0.920 0.00 0.00 +0.022 A ATOM 29 C LIG 1 -3.292 2.982 -0.181 0.00 0.00 +0.033 A ATOM 30 C LIG 1 -4.510 3.128 -0.837 0.00 0.00 +0.060 A ATOM 31 CL LIG 1 -5.978 3.171 0.049 0.00 0.00 -0.082 Cl ATOM 32 C LIG 1 -4.509 3.226 -2.219 0.00 0.00 +0.130 A ATOM 33 N LIG 1 -3.384 3.195 -2.974 0.00 0.00 -0.261 NA ATOM 34 C LIG 1 -2.213 3.070 -2.304 0.00 0.00 +0.120 A ENDBRANCH 8 28 BRANCH 1 35 ATOM 35 C LIG 1 -1.161 -0.251 -1.510 0.00 0.00 +0.128 C BRANCH 35 40 ATOM 36 C LIG 1 -4.754 -2.830 0.719 0.00 0.00 +0.007 C ATOM 37 C LIG 1 -3.347 -2.853 1.325 0.00 0.00 -0.014 C ATOM 38 C LIG 1 -2.327 -3.490 0.362 0.00 0.00 +0.003 C ATOM 39 C LIG 1 -1.338 -2.494 -0.252 0.00 0.00 +0.005 C ATOM 40 C LIG 1 -2.026 -1.180 -0.629 0.00 0.00 +0.009 C ATOM 41 C LIG 1 -2.625 -0.496 0.612 0.00 0.00 +0.005 C ATOM 42 C LIG 1 -2.909 -1.456 1.772 0.00 0.00 +0.003 C ENDBRANCH 35 40 ENDBRANCH 1 35 TORSDOF 5