REMARK Name = BDB034861 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 0.654 1.355 1.058 0.00 0.00 -0.154 NA ATOM 2 C LIG 1 -0.432 2.005 0.815 0.00 0.00 +0.160 C ATOM 3 N LIG 1 -1.747 1.623 0.655 0.00 0.00 -0.220 N ATOM 4 C LIG 1 -2.684 2.642 0.810 0.00 0.00 +0.236 C ATOM 5 O LIG 1 -3.905 2.560 0.704 0.00 0.00 -0.274 OA ATOM 6 C LIG 1 -2.026 3.961 1.126 0.00 0.00 +0.173 C ATOM 7 S LIG 1 -0.289 3.748 0.715 0.00 0.00 -0.083 S ENDROOT BRANCH 3 8 ATOM 8 C LIG 1 -2.151 0.351 0.142 0.00 0.00 +0.043 A ATOM 9 C LIG 1 -3.337 -0.262 0.568 0.00 0.00 +0.024 A ATOM 10 C LIG 1 -3.728 -1.501 0.051 0.00 0.00 +0.002 A ATOM 11 C LIG 1 -2.946 -2.139 -0.907 0.00 0.00 +0.000 A ATOM 12 C LIG 1 -1.776 -1.535 -1.357 0.00 0.00 +0.002 A ATOM 13 C LIG 1 -1.385 -0.296 -0.842 0.00 0.00 +0.024 A ENDBRANCH 3 8 BRANCH 1 15 ATOM 14 O LIG 1 -0.178 -0.321 2.375 0.00 0.00 -0.268 OA ATOM 15 C LIG 1 0.577 0.061 1.489 0.00 0.00 +0.271 C BRANCH 15 16 ATOM 16 C LIG 1 1.532 -0.825 0.827 0.00 0.00 +0.065 A ATOM 17 C LIG 1 2.542 -0.541 -0.155 0.00 0.00 +0.031 A ATOM 18 C LIG 1 3.152 -1.751 -0.475 0.00 0.00 +0.139 A ATOM 19 N LIG 1 4.145 -1.969 -1.356 0.00 0.00 -0.237 NA ATOM 20 C LIG 1 4.564 -0.840 -1.968 0.00 0.00 +0.113 A ATOM 21 C LIG 1 4.057 0.433 -1.750 0.00 0.00 +0.020 A ATOM 22 N LIG 1 2.571 -2.733 0.274 0.00 0.00 -0.345 N ATOM 23 H LIG 1 2.844 -3.704 0.230 0.00 0.00 +0.167 HD ATOM 24 C LIG 1 3.024 0.600 -0.827 0.00 0.00 +0.014 A ATOM 25 C LIG 1 1.593 -2.194 1.062 0.00 0.00 +0.098 A ENDBRANCH 15 16 ENDBRANCH 1 15 TORSDOF 3