REMARK Name = BDB019796 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.898 1.294 2.127 0.00 0.00 +0.186 A ATOM 2 C LIG 1 -1.729 0.662 1.714 0.00 0.00 +0.167 A ATOM 3 N LIG 1 -0.595 0.708 2.449 0.00 0.00 -0.217 NA ATOM 4 C LIG 1 -0.662 1.370 3.615 0.00 0.00 +0.223 A ATOM 5 N LIG 1 -1.742 1.986 4.116 0.00 0.00 -0.240 NA ATOM 6 C LIG 1 -2.850 1.919 3.354 0.00 0.00 +0.162 A ENDROOT BRANCH 2 7 ATOM 7 N LIG 1 -1.734 -0.072 0.495 0.00 0.00 -0.311 N ATOM 8 C LIG 1 -1.147 -1.409 0.444 0.00 0.00 +0.118 C ATOM 9 C LIG 1 -0.048 -0.840 -0.383 0.00 0.00 +0.034 C ATOM 10 C LIG 1 1.319 -0.674 0.212 0.00 0.00 +0.119 C ATOM 11 N LIG 1 1.813 -1.181 -1.068 0.00 0.00 -0.299 N ATOM 12 C LIG 1 3.025 -1.735 -1.414 0.00 0.00 +0.233 C ATOM 13 O LIG 1 3.127 -2.475 -2.393 0.00 0.00 -0.274 OA ATOM 14 C LIG 1 0.492 -1.597 -1.552 0.00 0.00 +0.119 C ATOM 15 C LIG 1 -0.887 0.372 -0.611 0.00 0.00 +0.118 C BRANCH 12 16 ATOM 16 C LIG 1 4.212 -1.334 -0.507 0.00 0.00 +0.144 C ATOM 17 C LIG 1 4.620 0.142 -0.711 0.00 0.00 +0.015 C ATOM 18 C LIG 1 5.664 0.496 0.364 0.00 0.00 +0.010 C ATOM 19 C LIG 1 6.824 -0.527 0.317 0.00 0.00 +0.007 C ATOM 20 C LIG 1 6.622 -1.461 -0.904 0.00 0.00 +0.057 C ATOM 21 C LIG 1 6.469 -0.657 -2.206 0.00 0.00 +0.019 C ATOM 22 C LIG 1 5.286 0.310 -2.089 0.00 0.00 +0.007 C ATOM 23 N LIG 1 5.379 -2.228 -0.724 0.00 0.00 -0.302 NA ATOM 24 H LIG 1 5.460 -2.884 0.050 0.00 0.00 +0.123 HD BRANCH 19 25 ATOM 25 C LIG 1 8.203 0.158 0.299 0.00 0.00 +0.008 C BRANCH 25 26 ATOM 26 C LIG 1 8.534 0.793 1.621 0.00 0.00 -0.011 C ATOM 27 C LIG 1 9.974 1.000 2.010 0.00 0.00 +0.004 C ATOM 28 C LIG 1 9.141 -0.024 2.730 0.00 0.00 +0.004 C ENDBRANCH 25 26 ENDBRANCH 19 25 ENDBRANCH 12 16 ENDBRANCH 2 7 BRANCH 1 29 ATOM 29 O LIG 1 -4.088 1.264 1.451 0.00 0.00 -0.450 OA BRANCH 29 31 ATOM 30 C LIG 1 -4.666 1.105 -0.869 0.00 0.00 +0.082 A ATOM 31 C LIG 1 -4.101 1.827 0.193 0.00 0.00 +0.141 A ATOM 32 C LIG 1 -3.617 3.123 -0.031 0.00 0.00 +0.050 A ATOM 33 C LIG 1 -3.643 3.660 -1.319 0.00 0.00 +0.042 A ATOM 34 C LIG 1 -4.149 2.906 -2.373 0.00 0.00 +0.124 A ATOM 35 F LIG 1 -4.149 3.421 -3.608 0.00 0.00 -0.205 F ATOM 36 C LIG 1 -4.650 1.629 -2.165 0.00 0.00 +0.055 A BRANCH 30 38 ATOM 37 N LIG 1 -6.242 -0.584 0.079 0.00 0.00 -0.292 N ATOM 38 C LIG 1 -5.108 -0.288 -0.692 0.00 0.00 +0.251 C ATOM 39 O LIG 1 -4.409 -1.138 -1.242 0.00 0.00 -0.270 OA BRANCH 37 41 ATOM 40 C LIG 1 -7.262 1.456 1.179 0.00 0.00 +0.028 C ATOM 41 C LIG 1 -7.433 0.296 0.203 0.00 0.00 +0.070 C ATOM 42 C LIG 1 -7.984 0.763 -1.145 0.00 0.00 +0.028 C ENDBRANCH 37 41 BRANCH 37 43 ATOM 43 C LIG 1 -6.434 -1.990 0.504 0.00 0.00 +0.070 C ATOM 44 C LIG 1 -6.883 -2.895 -0.644 0.00 0.00 +0.028 C ATOM 45 C LIG 1 -5.217 -2.569 1.236 0.00 0.00 +0.028 C ENDBRANCH 37 43 ENDBRANCH 30 38 ENDBRANCH 29 31 ENDBRANCH 1 29 TORSDOF 9