REMARK Name = BDB052332 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 1.128 -3.775 -2.132 0.00 0.00 -0.271 N ATOM 2 N LIG 1 2.120 -2.872 -2.160 0.00 0.00 -0.171 NA ATOM 3 C LIG 1 1.986 -2.178 -1.014 0.00 0.00 +0.100 A ATOM 4 C LIG 1 0.890 -2.689 -0.248 0.00 0.00 +0.028 A ATOM 5 C LIG 1 0.371 -3.720 -1.004 0.00 0.00 +0.117 A ENDROOT BRANCH 4 6 ATOM 6 C LIG 1 0.396 -2.363 1.070 0.00 0.00 -0.002 A ATOM 7 C LIG 1 -0.936 -1.941 1.246 0.00 0.00 +0.027 A ATOM 8 C LIG 1 -1.331 -1.650 2.546 0.00 0.00 +0.139 A ATOM 9 N LIG 1 -2.641 -1.258 2.517 0.00 0.00 -0.342 N ATOM 10 H LIG 1 -3.155 -0.992 3.343 0.00 0.00 +0.167 HD ATOM 11 C LIG 1 -3.114 -1.276 1.225 0.00 0.00 +0.032 A ATOM 12 N LIG 1 -0.591 -1.722 3.667 0.00 0.00 -0.237 NA ATOM 13 C LIG 1 0.679 -2.124 3.436 0.00 0.00 +0.114 A ATOM 14 C LIG 1 -2.068 -1.692 0.417 0.00 0.00 +0.034 A ATOM 15 C LIG 1 1.215 -2.450 2.199 0.00 0.00 +0.029 A BRANCH 11 16 ATOM 16 C LIG 1 -4.513 -0.896 0.885 0.00 0.00 +0.134 C BRANCH 16 17 ATOM 17 N LIG 1 -4.500 0.395 0.209 0.00 0.00 -0.309 NA ATOM 18 H LIG 1 -3.982 1.058 0.783 0.00 0.00 +0.122 HD BRANCH 17 19 ATOM 19 C LIG 1 -5.847 0.924 -0.036 0.00 0.00 +0.096 C BRANCH 19 20 ATOM 20 C LIG 1 -6.637 0.149 -1.117 0.00 0.00 +0.099 C BRANCH 20 21 ATOM 21 N LIG 1 -7.966 0.664 -1.470 0.00 0.00 -0.297 NA ATOM 22 C LIG 1 -8.929 0.725 -0.360 0.00 0.00 +0.112 C ATOM 23 C LIG 1 -9.285 2.159 0.062 0.00 0.00 +0.175 C ATOM 24 O LIG 1 -9.809 2.956 -1.007 0.00 0.00 -0.377 OA ATOM 25 C LIG 1 -9.320 2.567 -2.297 0.00 0.00 +0.175 C ATOM 26 C LIG 1 -7.929 1.916 -2.241 0.00 0.00 +0.112 C ENDBRANCH 20 21 ENDBRANCH 19 20 ENDBRANCH 17 19 ENDBRANCH 16 17 ENDBRANCH 11 16 ENDBRANCH 4 6 BRANCH 3 27 ATOM 27 C LIG 1 2.909 -1.082 -0.700 0.00 0.00 +0.003 A ATOM 28 C LIG 1 4.239 -1.141 -1.135 0.00 0.00 +0.012 A ATOM 29 C LIG 1 5.135 -0.108 -0.840 0.00 0.00 +0.024 A ATOM 30 C LIG 1 4.718 1.008 -0.106 0.00 0.00 +0.035 A ATOM 31 C LIG 1 3.394 1.074 0.326 0.00 0.00 +0.024 A ATOM 32 C LIG 1 2.494 0.043 0.022 0.00 0.00 +0.012 A BRANCH 30 33 ATOM 33 N LIG 1 5.685 1.994 0.168 0.00 0.00 -0.269 N ATOM 34 H LIG 1 6.585 1.872 -0.271 0.00 0.00 +0.156 HD ATOM 35 C LIG 1 5.495 3.228 0.727 0.00 0.00 +0.308 C ATOM 36 N LIG 1 6.629 3.957 0.972 0.00 0.00 -0.269 N ATOM 37 H LIG 1 6.409 4.936 1.121 0.00 0.00 +0.156 HD ATOM 38 O LIG 1 4.411 3.759 0.953 0.00 0.00 -0.252 OA BRANCH 36 39 ATOM 39 C LIG 1 7.972 3.580 1.154 0.00 0.00 +0.035 A ATOM 40 C LIG 1 8.931 4.598 1.103 0.00 0.00 +0.023 A ATOM 41 C LIG 1 10.287 4.313 1.286 0.00 0.00 +0.002 A ATOM 42 C LIG 1 10.693 3.008 1.546 0.00 0.00 +0.000 A ATOM 43 C LIG 1 9.744 1.992 1.633 0.00 0.00 +0.002 A ATOM 44 C LIG 1 8.387 2.278 1.444 0.00 0.00 +0.023 A ENDBRANCH 36 39 ENDBRANCH 30 33 ENDBRANCH 3 27 BRANCH 1 46 ATOM 45 C LIG 1 1.892 -5.901 -3.112 0.00 0.00 +0.029 C ATOM 46 C LIG 1 0.968 -4.702 -3.236 0.00 0.00 +0.140 C ENDBRANCH 1 46 TORSDOF 10