REMARK Name = BDB026522 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 0.162 1.923 -2.732 0.00 0.00 -0.278 N ATOM 2 C LIG 1 -0.392 0.672 -2.947 0.00 0.00 +0.305 C ATOM 3 O LIG 1 0.010 -0.178 -3.724 0.00 0.00 -0.252 OA ATOM 4 N LIG 1 -1.481 0.545 -2.093 0.00 0.00 -0.281 N ATOM 5 C LIG 1 -1.621 1.692 -1.225 0.00 0.00 +0.128 C ATOM 6 C LIG 1 -0.458 2.601 -1.614 0.00 0.00 +0.128 C ENDROOT BRANCH 1 7 ATOM 7 C LIG 1 1.430 2.346 -3.293 0.00 0.00 +0.164 C BRANCH 7 11 ATOM 8 C LIG 1 4.696 1.465 -0.664 0.00 0.00 +0.052 A ATOM 9 C LIG 1 4.091 2.718 -0.761 0.00 0.00 +0.134 A ATOM 10 N LIG 1 3.061 3.023 -1.588 0.00 0.00 -0.256 NA ATOM 11 C LIG 1 2.600 2.029 -2.389 0.00 0.00 +0.059 A ATOM 12 C LIG 1 3.136 0.743 -2.356 0.00 0.00 +0.027 A ATOM 13 C LIG 1 4.193 0.463 -1.486 0.00 0.00 +0.026 A BRANCH 8 16 ATOM 14 O LIG 1 6.282 -0.945 -0.024 0.00 0.00 -0.275 OA ATOM 15 C LIG 1 6.484 0.146 0.513 0.00 0.00 +0.225 C ATOM 16 N LIG 1 5.762 1.301 0.246 0.00 0.00 -0.284 N ATOM 17 H LIG 1 6.032 2.130 0.769 0.00 0.00 +0.155 HD BRANCH 15 18 ATOM 18 C LIG 1 7.598 0.329 1.568 0.00 0.00 +0.126 C ATOM 19 C LIG 1 8.556 1.515 1.399 0.00 0.00 +0.174 C ATOM 20 O LIG 1 7.801 2.276 2.385 0.00 0.00 -0.378 OA ATOM 21 C LIG 1 7.230 1.032 2.881 0.00 0.00 +0.174 C ENDBRANCH 15 18 ENDBRANCH 8 16 ENDBRANCH 7 11 ENDBRANCH 1 7 BRANCH 4 22 ATOM 22 C LIG 1 -2.306 -0.645 -2.008 0.00 0.00 +0.142 C BRANCH 22 23 ATOM 23 C LIG 1 -1.644 -1.806 -1.252 0.00 0.00 +0.146 C BRANCH 23 24 ATOM 24 O LIG 1 -2.195 -3.055 -1.699 0.00 0.00 -0.389 OA ATOM 25 H LIG 1 -1.900 -3.173 -2.621 0.00 0.00 +0.210 HD ENDBRANCH 23 24 BRANCH 23 26 ATOM 26 C LIG 1 -1.693 -1.723 0.298 0.00 0.00 +0.117 C BRANCH 26 27 ATOM 27 N LIG 1 -2.956 -1.697 1.055 0.00 0.00 -0.295 NA ATOM 28 C LIG 1 -3.964 -2.649 0.570 0.00 0.00 +0.120 C ATOM 29 C LIG 1 -5.238 -2.644 1.395 0.00 0.00 -0.030 A ATOM 30 C LIG 1 -5.560 -1.556 2.226 0.00 0.00 -0.042 A ATOM 31 C LIG 1 -6.762 -1.560 2.946 0.00 0.00 +0.004 A ATOM 32 C LIG 1 -7.655 -2.624 2.819 0.00 0.00 +0.000 A ATOM 33 C LIG 1 -7.350 -3.694 1.982 0.00 0.00 +0.000 A ATOM 34 C LIG 1 -4.581 -0.421 2.389 0.00 0.00 +0.051 C ATOM 35 C LIG 1 -6.149 -3.703 1.270 0.00 0.00 +0.005 A ATOM 36 C LIG 1 -3.535 -0.373 1.264 0.00 0.00 +0.089 C ENDBRANCH 26 27 ENDBRANCH 23 26 ENDBRANCH 22 23 ENDBRANCH 4 22 TORSDOF 9