REMARK Name = BDB062904 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.465 -0.123 -0.129 0.00 0.00 +0.002 A ATOM 2 C LIG 1 -1.313 -1.076 -0.708 0.00 0.00 +0.012 A ATOM 3 C LIG 1 -2.705 -0.926 -0.652 0.00 0.00 +0.023 A ATOM 4 C LIG 1 -3.283 0.153 0.018 0.00 0.00 +0.025 A ATOM 5 C LIG 1 -2.443 1.135 0.543 0.00 0.00 +0.023 A ATOM 6 C LIG 1 -1.052 0.989 0.490 0.00 0.00 +0.012 A ENDROOT BRANCH 1 10 ATOM 7 C LIG 1 4.183 0.896 0.700 0.00 0.00 +0.172 C ATOM 8 N LIG 1 3.051 0.169 0.178 0.00 0.00 -0.274 N ATOM 9 N LIG 1 1.811 0.611 0.436 0.00 0.00 -0.171 NA ATOM 10 C LIG 1 0.996 -0.265 -0.178 0.00 0.00 +0.093 A ATOM 11 C LIG 1 1.766 -1.271 -0.829 0.00 0.00 +0.049 A ATOM 12 C LIG 1 3.082 -0.960 -0.579 0.00 0.00 +0.108 A ENDBRANCH 1 10 BRANCH 4 13 ATOM 13 N LIG 1 -4.666 0.357 -0.031 0.00 0.00 -0.358 N ATOM 14 H LIG 1 -5.016 0.957 0.710 0.00 0.00 +0.142 HD ATOM 15 H LIG 1 -5.204 -0.498 -0.121 0.00 0.00 +0.142 HD ENDBRANCH 4 13 TORSDOF 2