REMARK Name = BDB064289 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.535 -1.648 -2.416 0.00 0.00 +0.111 A ATOM 2 C LIG 1 -2.406 -1.816 -3.781 0.00 0.00 +0.167 A ATOM 3 F LIG 1 -3.435 -1.714 -4.632 0.00 0.00 -0.202 F ATOM 4 C LIG 1 -1.145 -2.084 -4.246 0.00 0.00 +0.155 A ATOM 5 N LIG 1 -0.067 -2.187 -3.447 0.00 0.00 -0.220 NA ATOM 6 C LIG 1 -0.253 -1.986 -2.135 0.00 0.00 +0.221 A ATOM 7 N LIG 1 -1.458 -1.734 -1.589 0.00 0.00 -0.211 NA ENDROOT BRANCH 1 14 ATOM 8 C LIG 1 -7.083 0.335 1.328 0.00 0.00 +0.162 A ATOM 9 S LIG 1 -5.388 0.680 1.435 0.00 0.00 -0.052 S ATOM 10 C LIG 1 -5.073 -0.274 0.046 0.00 0.00 +0.041 A ATOM 11 C LIG 1 -6.273 -0.798 -0.416 0.00 0.00 +0.080 A ATOM 12 C LIG 1 -6.253 -1.622 -1.556 0.00 0.00 +0.029 A ATOM 13 C LIG 1 -5.036 -1.893 -2.200 0.00 0.00 +0.012 A ATOM 14 C LIG 1 -3.821 -1.361 -1.742 0.00 0.00 +0.005 A ATOM 15 C LIG 1 -3.849 -0.541 -0.594 0.00 0.00 +0.027 A ATOM 16 N LIG 1 -7.392 -0.448 0.314 0.00 0.00 -0.225 NA BRANCH 8 17 ATOM 17 N LIG 1 -8.020 0.818 2.201 0.00 0.00 -0.310 N BRANCH 17 19 ATOM 18 C LIG 1 -9.748 -0.867 2.662 0.00 0.00 +0.024 C ATOM 19 C LIG 1 -9.423 0.462 1.994 0.00 0.00 +0.103 C ENDBRANCH 17 19 BRANCH 17 20 ATOM 20 C LIG 1 -7.699 1.676 3.335 0.00 0.00 +0.103 C ATOM 21 C LIG 1 -7.716 3.142 2.929 0.00 0.00 +0.024 C ENDBRANCH 17 20 ENDBRANCH 8 17 ENDBRANCH 1 14 BRANCH 6 22 ATOM 22 N LIG 1 0.795 -2.104 -1.226 0.00 0.00 -0.268 N ATOM 23 H LIG 1 0.431 -1.858 -0.317 0.00 0.00 +0.156 HD BRANCH 22 24 ATOM 24 C LIG 1 2.120 -1.681 -1.412 0.00 0.00 +0.125 A ATOM 25 N LIG 1 2.479 -0.947 -2.487 0.00 0.00 -0.239 NA ATOM 26 C LIG 1 3.780 -0.586 -2.619 0.00 0.00 +0.126 A ATOM 27 C LIG 1 4.756 -0.887 -1.687 0.00 0.00 +0.055 A ATOM 28 C LIG 1 4.394 -1.656 -0.585 0.00 0.00 +0.018 A ATOM 29 C LIG 1 3.062 -2.051 -0.447 0.00 0.00 +0.044 A BRANCH 27 30 ATOM 30 C LIG 1 6.146 -0.458 -1.927 0.00 0.00 +0.248 C ATOM 31 N LIG 1 6.869 0.111 -0.874 0.00 0.00 -0.294 N ATOM 32 C LIG 1 8.265 0.459 -1.160 0.00 0.00 +0.127 C ATOM 33 C LIG 1 9.107 0.587 0.113 0.00 0.00 +0.126 C ATOM 34 N LIG 1 8.471 1.428 1.134 0.00 0.00 -0.299 N ATOM 35 C LIG 1 9.305 2.044 2.061 0.00 0.00 +0.213 C ATOM 36 O LIG 1 10.532 2.023 1.968 0.00 0.00 -0.276 OA ATOM 37 C LIG 1 8.644 2.773 3.203 0.00 0.00 +0.109 C ATOM 38 C LIG 1 7.062 1.121 1.401 0.00 0.00 +0.126 C ATOM 39 C LIG 1 6.232 0.989 0.116 0.00 0.00 +0.127 C ATOM 40 O LIG 1 6.617 -0.651 -3.044 0.00 0.00 -0.270 OA ENDBRANCH 27 30 ENDBRANCH 22 24 ENDBRANCH 6 22 TORSDOF 7