REMARK Name = BDB054307 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.397 0.026 -0.209 0.00 0.00 +0.035 A ATOM 2 C LIG 1 0.477 0.945 0.384 0.00 0.00 +0.023 A ATOM 3 C LIG 1 1.827 0.984 0.024 0.00 0.00 +0.005 A ATOM 4 C LIG 1 2.328 0.105 -0.943 0.00 0.00 -0.046 A ATOM 5 C LIG 1 1.454 -0.809 -1.540 0.00 0.00 +0.005 A ATOM 6 C LIG 1 0.102 -0.845 -1.179 0.00 0.00 +0.023 A ENDROOT BRANCH 1 11 ATOM 7 O LIG 1 -2.613 -1.837 -0.808 0.00 0.00 -0.252 OA ATOM 8 C LIG 1 -2.760 -0.827 -0.133 0.00 0.00 +0.308 C ATOM 9 N LIG 1 -3.965 -0.394 0.405 0.00 0.00 -0.269 N ATOM 10 H LIG 1 -3.982 0.555 0.743 0.00 0.00 +0.156 HD ATOM 11 N LIG 1 -1.744 0.057 0.208 0.00 0.00 -0.269 N ATOM 12 H LIG 1 -1.961 0.721 0.934 0.00 0.00 +0.156 HD BRANCH 9 13 ATOM 13 C LIG 1 -5.213 -1.053 0.366 0.00 0.00 +0.035 A ATOM 14 C LIG 1 -6.323 -0.349 0.859 0.00 0.00 +0.028 A ATOM 15 C LIG 1 -7.605 -0.924 0.867 0.00 0.00 -0.032 A ATOM 16 C LIG 1 -7.762 -2.228 0.383 0.00 0.00 +0.005 A ATOM 17 C LIG 1 -6.664 -2.936 -0.103 0.00 0.00 +0.002 A ATOM 18 C LIG 1 -5.395 -2.352 -0.108 0.00 0.00 +0.023 A BRANCH 15 19 ATOM 19 C LIG 1 -8.790 -0.162 1.425 0.00 0.00 +0.119 C BRANCH 19 20 ATOM 20 N LIG 1 -9.931 -0.097 0.501 0.00 0.00 -0.298 NA ATOM 21 C LIG 1 -9.673 0.743 -0.680 0.00 0.00 +0.085 C ATOM 22 C LIG 1 -10.435 2.067 -0.679 0.00 0.00 +0.015 C ATOM 23 C LIG 1 -11.943 1.850 -0.571 0.00 0.00 +0.002 C ATOM 24 C LIG 1 -12.294 0.621 0.265 0.00 0.00 +0.015 C ATOM 25 C LIG 1 -11.162 0.253 1.221 0.00 0.00 +0.085 C ENDBRANCH 19 20 ENDBRANCH 15 19 ENDBRANCH 9 13 ENDBRANCH 1 11 BRANCH 4 26 ATOM 26 C LIG 1 3.791 0.129 -1.311 0.00 0.00 +0.054 C BRANCH 26 27 ATOM 27 C LIG 1 4.639 -0.656 -0.303 0.00 0.00 +0.107 C BRANCH 27 28 ATOM 28 N LIG 1 6.054 -0.634 -0.663 0.00 0.00 -0.328 N ATOM 29 H LIG 1 6.528 -1.528 -0.582 0.00 0.00 +0.147 HD BRANCH 28 30 ATOM 30 C LIG 1 6.818 0.431 -0.192 0.00 0.00 +0.134 A ATOM 31 C LIG 1 8.213 0.354 -0.058 0.00 0.00 +0.098 A ATOM 32 C LIG 1 8.857 1.495 0.392 0.00 0.00 +0.234 A ATOM 33 O LIG 1 10.197 1.282 0.467 0.00 0.00 -0.435 OA ATOM 34 C LIG 1 10.438 -0.006 0.073 0.00 0.00 +0.157 A ATOM 35 N LIG 1 8.300 2.667 0.720 0.00 0.00 -0.200 NA ATOM 36 C LIG 1 6.974 2.634 0.562 0.00 0.00 +0.227 A ATOM 37 C LIG 1 9.239 -0.610 -0.264 0.00 0.00 +0.099 A ATOM 38 CL LIG 1 8.982 -2.192 -0.839 0.00 0.00 -0.079 Cl ATOM 39 N LIG 1 6.221 1.602 0.139 0.00 0.00 -0.220 NA BRANCH 34 40 ATOM 40 C LIG 1 11.842 -0.407 0.109 0.00 0.00 +0.019 A ATOM 41 C LIG 1 12.217 -1.729 0.388 0.00 0.00 +0.011 A ATOM 42 C LIG 1 13.565 -2.100 0.418 0.00 0.00 +0.001 A ATOM 43 C LIG 1 14.557 -1.153 0.173 0.00 0.00 +0.000 A ATOM 44 C LIG 1 14.203 0.165 -0.098 0.00 0.00 +0.001 A ATOM 45 C LIG 1 12.855 0.535 -0.128 0.00 0.00 +0.011 A ENDBRANCH 34 40 ENDBRANCH 28 30 ENDBRANCH 27 28 ENDBRANCH 26 27 ENDBRANCH 4 26 TORSDOF 9