REMARK Name = BDB013703 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.019 0.282 -0.999 0.00 0.00 +0.147 A ATOM 2 C LIG 1 -2.766 -0.973 -0.718 0.00 0.00 +0.029 A ATOM 3 C LIG 1 -3.975 -0.874 -0.041 0.00 0.00 +0.051 A ATOM 4 C LIG 1 -4.710 -2.027 0.269 0.00 0.00 +0.014 A ATOM 5 C LIG 1 -4.235 -3.282 -0.114 0.00 0.00 +0.001 A ATOM 6 C LIG 1 -3.033 -3.384 -0.811 0.00 0.00 +0.001 A ATOM 7 C LIG 1 -4.492 0.453 0.328 0.00 0.00 +0.275 A ATOM 8 O LIG 1 -5.541 0.537 0.963 0.00 0.00 -0.266 OA ATOM 9 N LIG 1 -3.740 1.543 -0.092 0.00 0.00 -0.230 N ATOM 10 C LIG 1 -4.175 2.888 0.237 0.00 0.00 +0.176 C ATOM 11 C LIG 1 -2.300 -2.234 -1.117 0.00 0.00 +0.012 A ATOM 12 N LIG 1 -2.518 1.450 -0.702 0.00 0.00 -0.153 NA ENDROOT BRANCH 1 13 ATOM 13 N LIG 1 -0.764 0.196 -1.583 0.00 0.00 -0.326 N ATOM 14 H LIG 1 -0.227 -0.615 -1.278 0.00 0.00 +0.148 HD BRANCH 13 15 ATOM 15 C LIG 1 0.133 1.351 -1.626 0.00 0.00 +0.118 C BRANCH 15 16 ATOM 16 C LIG 1 0.965 1.411 -0.327 0.00 0.00 +0.103 C BRANCH 16 21 ATOM 17 C LIG 1 5.853 0.140 0.310 0.00 0.00 +0.105 C ATOM 18 N LIG 1 4.578 -0.472 0.671 0.00 0.00 -0.303 NA ATOM 19 C LIG 1 3.874 -1.026 -0.501 0.00 0.00 +0.099 C ATOM 20 C LIG 1 2.737 -0.126 -1.037 0.00 0.00 +0.100 C ATOM 21 N LIG 1 1.675 0.141 -0.039 0.00 0.00 -0.298 NA ATOM 22 C LIG 1 2.228 0.133 1.336 0.00 0.00 +0.100 C ATOM 23 C LIG 1 3.731 0.481 1.414 0.00 0.00 +0.099 C ENDBRANCH 16 21 ENDBRANCH 15 16 ENDBRANCH 13 15 ENDBRANCH 1 13 TORSDOF 4