REMARK Name = BDB006670 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 0.600 -0.328 0.083 0.00 0.00 -0.253 N ATOM 2 C LIG 1 -0.180 0.278 -1.043 0.00 0.00 +0.146 C ATOM 3 C LIG 1 -1.557 -0.026 -0.621 0.00 0.00 +0.031 A ATOM 4 C LIG 1 -2.886 0.162 -0.958 0.00 0.00 +0.073 A ATOM 5 N LIG 1 -3.703 -0.357 -0.034 0.00 0.00 -0.169 NA ATOM 6 N LIG 1 -2.878 -0.960 0.882 0.00 0.00 -0.209 N ATOM 7 C LIG 1 -1.581 -0.721 0.554 0.00 0.00 +0.137 A ATOM 8 C LIG 1 -0.269 -0.893 1.069 0.00 0.00 +0.271 C ATOM 9 O LIG 1 0.028 -1.411 2.131 0.00 0.00 -0.268 OA ENDROOT BRANCH 1 18 ATOM 10 C LIG 1 4.863 0.712 -2.256 0.00 0.00 +0.047 C ATOM 11 C LIG 1 4.138 0.180 -1.046 0.00 0.00 -0.004 A ATOM 12 C LIG 1 4.835 -0.314 0.100 0.00 0.00 +0.164 A ATOM 13 N LIG 1 4.091 -0.784 1.165 0.00 0.00 -0.285 N ATOM 14 C LIG 1 5.019 -1.185 2.101 0.00 0.00 +0.135 A ATOM 15 N LIG 1 6.232 -0.974 1.630 0.00 0.00 -0.134 NA ATOM 16 C LIG 1 4.676 -1.760 3.421 0.00 0.00 +0.088 C ATOM 17 C LIG 1 2.700 -0.803 1.185 0.00 0.00 +0.118 A ATOM 18 C LIG 1 1.996 -0.344 0.130 0.00 0.00 +0.055 A ATOM 19 N LIG 1 6.116 -0.427 0.374 0.00 0.00 -0.129 NA ATOM 20 C LIG 1 2.783 0.154 -1.013 0.00 0.00 +0.032 A ENDBRANCH 1 18 BRANCH 2 21 ATOM 21 C LIG 1 -0.097 1.790 -1.147 0.00 0.00 -0.022 A ATOM 22 C LIG 1 -0.012 2.623 -0.016 0.00 0.00 +0.007 A ATOM 23 C LIG 1 0.058 4.012 -0.155 0.00 0.00 +0.020 A ATOM 24 C LIG 1 0.042 4.585 -1.423 0.00 0.00 +0.041 A ATOM 25 CL LIG 1 0.127 6.294 -1.593 0.00 0.00 -0.084 Cl ATOM 26 C LIG 1 -0.043 3.780 -2.556 0.00 0.00 +0.020 A ATOM 27 C LIG 1 -0.113 2.392 -2.420 0.00 0.00 +0.007 A ENDBRANCH 2 21 BRANCH 6 28 ATOM 28 C LIG 1 -3.517 -1.641 1.907 0.00 0.00 +0.153 A ATOM 29 N LIG 1 -3.025 -2.644 2.701 0.00 0.00 -0.250 N ATOM 30 C LIG 1 -1.872 -3.495 2.523 0.00 0.00 +0.174 C ATOM 31 N LIG 1 -3.898 -3.013 3.670 0.00 0.00 -0.178 NA ATOM 32 C LIG 1 -4.996 -2.305 3.409 0.00 0.00 +0.136 A ATOM 33 C LIG 1 -4.829 -1.459 2.304 0.00 0.00 +0.069 A ENDBRANCH 6 28 BRANCH 4 34 ATOM 34 C LIG 1 -3.399 0.926 -2.202 0.00 0.00 +0.040 C ATOM 35 C LIG 1 -4.502 0.319 -3.031 0.00 0.00 +0.010 C ATOM 36 C LIG 1 -3.106 0.381 -3.577 0.00 0.00 +0.010 C ENDBRANCH 4 34 TORSDOF 4