REMARK Name = BDB027806 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.494 -0.962 0.265 0.00 0.00 +0.039 A ATOM 2 C LIG 1 0.057 -2.274 0.279 0.00 0.00 +0.024 A ATOM 3 C LIG 1 1.458 -2.397 0.329 0.00 0.00 +0.091 A ATOM 4 C LIG 1 1.970 -3.686 0.364 0.00 0.00 +0.139 A ATOM 5 N LIG 1 1.249 -4.837 0.339 0.00 0.00 -0.261 NA ATOM 6 C LIG 1 -0.083 -4.693 0.264 0.00 0.00 +0.111 A ATOM 7 N LIG 1 2.293 -1.342 0.335 0.00 0.00 -0.245 NA ATOM 8 C LIG 1 1.772 -0.097 0.271 0.00 0.00 +0.074 A ATOM 9 C LIG 1 -0.713 -3.460 0.231 0.00 0.00 +0.031 A ATOM 10 C LIG 1 0.397 0.116 0.216 0.00 0.00 +0.052 A ENDROOT BRANCH 8 11 ATOM 11 C LIG 1 2.758 1.003 0.251 0.00 0.00 +0.003 A ATOM 12 C LIG 1 2.500 2.252 0.832 0.00 0.00 +0.030 A ATOM 13 C LIG 1 3.472 3.242 0.775 0.00 0.00 +0.111 A ATOM 14 N LIG 1 4.673 3.083 0.187 0.00 0.00 -0.263 NA ATOM 15 C LIG 1 4.920 1.875 -0.359 0.00 0.00 +0.111 A ATOM 16 C LIG 1 4.013 0.827 -0.350 0.00 0.00 +0.030 A ENDBRANCH 8 11 BRANCH 1 17 ATOM 17 N LIG 1 -1.889 -0.791 0.190 0.00 0.00 -0.341 N ATOM 18 H LIG 1 -2.370 -1.497 0.741 0.00 0.00 +0.146 HD BRANCH 17 19 ATOM 19 C LIG 1 -2.540 0.524 0.264 0.00 0.00 +0.067 C ATOM 20 C LIG 1 -3.942 0.334 0.858 0.00 0.00 +0.028 C BRANCH 19 22 ATOM 21 C LIG 1 -3.103 2.574 -1.158 0.00 0.00 +0.005 C ATOM 22 C LIG 1 -2.614 1.133 -1.149 0.00 0.00 +0.018 C ENDBRANCH 19 22 ENDBRANCH 17 19 ENDBRANCH 1 17 TORSDOF 4