REMARK Name = BDB052337 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -3.293 -1.857 -0.147 0.00 0.00 -0.258 N ATOM 2 C LIG 1 -2.644 -0.659 0.134 0.00 0.00 +0.077 A ATOM 3 C LIG 1 -3.645 0.213 0.551 0.00 0.00 +0.028 A ATOM 4 C LIG 1 -4.821 -0.552 0.556 0.00 0.00 +0.143 A ATOM 5 N LIG 1 -4.614 -1.805 0.165 0.00 0.00 -0.178 NA ENDROOT BRANCH 3 6 ATOM 6 C LIG 1 -3.460 1.605 0.899 0.00 0.00 -0.002 A ATOM 7 C LIG 1 -4.182 2.597 0.207 0.00 0.00 +0.026 A ATOM 8 C LIG 1 -3.961 3.915 0.594 0.00 0.00 +0.139 A ATOM 9 N LIG 1 -4.743 4.724 -0.184 0.00 0.00 -0.346 N ATOM 10 H LIG 1 -4.765 5.729 -0.095 0.00 0.00 +0.167 HD ATOM 11 C LIG 1 -5.459 3.966 -1.074 0.00 0.00 +0.085 A ATOM 12 N LIG 1 -3.134 4.363 1.556 0.00 0.00 -0.237 NA ATOM 13 C LIG 1 -2.470 3.367 2.186 0.00 0.00 +0.114 A ATOM 14 C LIG 1 -5.130 2.643 -0.858 0.00 0.00 +0.029 A ATOM 15 C LIG 1 -2.589 2.012 1.913 0.00 0.00 +0.029 A ENDBRANCH 3 6 BRANCH 2 16 ATOM 16 C LIG 1 -1.221 -0.383 -0.039 0.00 0.00 +0.001 A ATOM 17 C LIG 1 -0.781 0.377 -1.127 0.00 0.00 +0.012 A ATOM 18 C LIG 1 0.577 0.677 -1.275 0.00 0.00 +0.024 A ATOM 19 C LIG 1 1.514 0.228 -0.338 0.00 0.00 +0.035 A ATOM 20 C LIG 1 1.068 -0.507 0.762 0.00 0.00 +0.024 A ATOM 21 C LIG 1 -0.291 -0.806 0.913 0.00 0.00 +0.012 A BRANCH 19 22 ATOM 22 N LIG 1 2.862 0.581 -0.553 0.00 0.00 -0.269 N ATOM 23 H LIG 1 3.052 1.106 -1.392 0.00 0.00 +0.156 HD ATOM 24 C LIG 1 3.977 0.114 0.132 0.00 0.00 +0.308 C ATOM 25 N LIG 1 5.109 0.802 -0.283 0.00 0.00 -0.269 N ATOM 26 H LIG 1 4.942 1.665 -0.776 0.00 0.00 +0.156 HD ATOM 27 O LIG 1 3.960 -0.773 0.974 0.00 0.00 -0.252 OA BRANCH 25 28 ATOM 28 C LIG 1 6.448 0.553 0.084 0.00 0.00 +0.035 A ATOM 29 C LIG 1 7.408 1.491 -0.319 0.00 0.00 +0.023 A ATOM 30 C LIG 1 8.758 1.312 -0.005 0.00 0.00 +0.002 A ATOM 31 C LIG 1 9.162 0.190 0.713 0.00 0.00 +0.000 A ATOM 32 C LIG 1 8.217 -0.752 1.112 0.00 0.00 +0.002 A ATOM 33 C LIG 1 6.865 -0.573 0.797 0.00 0.00 +0.023 A ENDBRANCH 25 28 ENDBRANCH 19 22 ENDBRANCH 2 16 BRANCH 1 35 ATOM 34 C LIG 1 -2.160 -3.960 0.470 0.00 0.00 +0.036 C ATOM 35 C LIG 1 -2.765 -3.135 -0.680 0.00 0.00 +0.056 C ATOM 36 C LIG 1 -3.905 -3.979 -1.314 0.00 0.00 +0.036 C ATOM 37 C LIG 1 -1.716 -2.938 -1.793 0.00 0.00 +0.036 C ENDBRANCH 1 35 TORSDOF 5