REMARK Name = BDB001540 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 2.005 -1.711 -3.791 0.00 0.00 -0.297 N ATOM 2 H LIG 1 1.974 -1.513 -4.786 0.00 0.00 +0.154 HD ENDROOT BRANCH 1 3 ATOM 3 C LIG 1 3.228 -1.244 -3.239 0.00 0.00 +0.164 A ATOM 4 C LIG 1 4.414 -1.487 -3.901 0.00 0.00 +0.181 A ATOM 5 F LIG 1 4.456 -2.119 -5.082 0.00 0.00 -0.200 F ATOM 6 C LIG 1 5.558 -1.036 -3.293 0.00 0.00 +0.156 A ATOM 7 N LIG 1 5.568 -0.381 -2.111 0.00 0.00 -0.220 NA ATOM 8 C LIG 1 4.377 -0.171 -1.527 0.00 0.00 +0.221 A ATOM 9 N LIG 1 3.223 -0.597 -2.057 0.00 0.00 -0.196 NA BRANCH 8 10 ATOM 10 N LIG 1 4.397 0.494 -0.304 0.00 0.00 -0.284 N ATOM 11 H LIG 1 5.348 0.687 -0.030 0.00 0.00 +0.155 HD BRANCH 10 12 ATOM 12 C LIG 1 3.378 1.002 0.514 0.00 0.00 +0.034 A ATOM 13 C LIG 1 3.689 1.367 1.833 0.00 0.00 +0.027 A ATOM 14 C LIG 1 2.701 1.822 2.714 0.00 0.00 +0.047 A ATOM 15 C LIG 1 1.385 1.909 2.284 0.00 0.00 +0.117 A ATOM 16 C LIG 1 1.045 1.558 0.985 0.00 0.00 +0.047 A ATOM 17 C LIG 1 2.039 1.103 0.113 0.00 0.00 +0.027 A BRANCH 15 18 ATOM 18 O LIG 1 0.442 2.338 3.169 0.00 0.00 -0.507 OA ATOM 19 H LIG 1 -0.433 2.244 2.749 0.00 0.00 +0.292 HD ENDBRANCH 15 18 ENDBRANCH 10 12 ENDBRANCH 8 10 ENDBRANCH 1 3 BRANCH 1 23 ATOM 20 C LIG 1 -1.672 -1.057 -1.813 0.00 0.00 +0.037 A ATOM 21 C LIG 1 -0.625 -1.698 -1.146 0.00 0.00 +0.015 A ATOM 22 C LIG 1 0.574 -1.947 -1.817 0.00 0.00 +0.024 A ATOM 23 C LIG 1 0.750 -1.572 -3.156 0.00 0.00 +0.032 A ATOM 24 C LIG 1 -0.331 -0.998 -3.837 0.00 0.00 +0.024 A ATOM 25 C LIG 1 -1.534 -0.741 -3.170 0.00 0.00 +0.015 A BRANCH 20 28 ATOM 26 N LIG 1 -2.760 -0.301 0.208 0.00 0.00 -0.279 N ATOM 27 H LIG 1 -1.819 -0.270 0.583 0.00 0.00 +0.155 HD ATOM 28 C LIG 1 -2.931 -0.673 -1.111 0.00 0.00 +0.248 C ATOM 29 O LIG 1 -3.978 -0.672 -1.746 0.00 0.00 -0.270 OA BRANCH 26 31 ATOM 30 C LIG 1 -3.288 0.498 2.414 0.00 0.00 +0.141 A ATOM 31 C LIG 1 -3.738 0.136 1.128 0.00 0.00 +0.076 A ATOM 32 C LIG 1 -5.100 0.213 0.837 0.00 0.00 +0.027 A ATOM 33 C LIG 1 -6.002 0.660 1.806 0.00 0.00 +0.002 A ATOM 34 C LIG 1 -5.549 1.038 3.069 0.00 0.00 +0.004 A ATOM 35 C LIG 1 -4.191 0.962 3.375 0.00 0.00 +0.047 A BRANCH 30 37 ATOM 36 C LIG 1 -1.598 -0.113 3.927 0.00 0.00 +0.277 C ATOM 37 O LIG 1 -1.932 0.420 2.644 0.00 0.00 -0.493 OA ENDBRANCH 30 37 ENDBRANCH 26 31 ENDBRANCH 20 28 ENDBRANCH 1 23 TORSDOF 8