REMARK Name = BDB004860 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.525 -1.729 1.178 0.00 0.00 +0.070 A ATOM 2 C LIG 1 1.395 -2.410 2.393 0.00 0.00 +0.145 A ATOM 3 F LIG 1 2.317 -2.229 3.353 0.00 0.00 -0.204 F ATOM 4 C LIG 1 0.332 -3.272 2.638 0.00 0.00 +0.040 A ATOM 5 C LIG 1 -0.634 -3.467 1.652 0.00 0.00 +0.008 A ATOM 6 C LIG 1 -0.536 -2.802 0.417 0.00 0.00 -0.026 A ATOM 7 C LIG 1 0.551 -1.927 0.198 0.00 0.00 +0.031 A ENDROOT BRANCH 1 9 ATOM 8 C LIG 1 3.022 -0.163 -0.081 0.00 0.00 +0.248 C ATOM 9 N LIG 1 2.638 -0.869 1.041 0.00 0.00 -0.279 N ATOM 10 H LIG 1 3.240 -0.840 1.857 0.00 0.00 +0.155 HD ATOM 11 O LIG 1 2.507 -0.213 -1.191 0.00 0.00 -0.270 OA BRANCH 8 16 ATOM 12 C LIG 1 6.490 2.356 0.329 0.00 0.00 +0.155 A ATOM 13 C LIG 1 5.621 2.160 1.409 0.00 0.00 +0.165 A ATOM 14 F LIG 1 5.863 2.764 2.583 0.00 0.00 -0.202 F ATOM 15 C LIG 1 4.491 1.352 1.307 0.00 0.00 +0.055 A ATOM 16 C LIG 1 4.218 0.709 0.098 0.00 0.00 +0.040 A ATOM 17 C LIG 1 5.069 0.909 -0.997 0.00 0.00 +0.017 A ATOM 18 C LIG 1 6.203 1.724 -0.882 0.00 0.00 +0.049 A BRANCH 12 20 ATOM 19 C LIG 1 8.453 3.408 -0.513 0.00 0.00 +0.277 C ATOM 20 O LIG 1 7.562 3.171 0.568 0.00 0.00 -0.492 OA ENDBRANCH 12 20 ENDBRANCH 8 16 ENDBRANCH 1 9 BRANCH 6 21 ATOM 21 C LIG 1 -1.587 -2.968 -0.678 0.00 0.00 +0.099 C ATOM 22 C LIG 1 -1.891 -4.446 -0.959 0.00 0.00 +0.033 C BRANCH 21 23 ATOM 23 N LIG 1 -2.843 -2.318 -0.282 0.00 0.00 -0.322 N ATOM 24 H LIG 1 -3.010 -2.429 0.713 0.00 0.00 +0.148 HD BRANCH 23 25 ATOM 25 C LIG 1 -2.972 -0.947 -0.591 0.00 0.00 +0.127 A ATOM 26 C LIG 1 -4.150 -0.253 -0.196 0.00 0.00 +0.023 A ATOM 27 C LIG 1 -4.253 1.127 -0.501 0.00 0.00 -0.001 A ATOM 28 C LIG 1 -5.430 1.822 -0.109 0.00 0.00 +0.044 A ATOM 29 C LIG 1 -6.455 1.185 0.602 0.00 0.00 +0.013 A ATOM 30 C LIG 1 -6.355 -0.167 0.895 0.00 0.00 +0.001 A ATOM 31 C LIG 1 -3.170 1.737 -1.159 0.00 0.00 +0.029 A ATOM 32 C LIG 1 -2.082 0.973 -1.525 0.00 0.00 +0.113 A ATOM 33 C LIG 1 -5.224 -0.876 0.489 0.00 0.00 +0.012 A ATOM 34 N LIG 1 -1.981 -0.342 -1.274 0.00 0.00 -0.240 NA BRANCH 28 35 ATOM 35 C LIG 1 -5.672 3.248 -0.435 0.00 0.00 +0.242 C ATOM 36 O LIG 1 -5.981 4.060 0.426 0.00 0.00 -0.270 OA ATOM 37 N LIG 1 -5.612 3.584 -1.758 0.00 0.00 -0.325 N ATOM 38 H LIG 1 -5.921 4.515 -2.007 0.00 0.00 +0.145 HD ATOM 39 H LIG 1 -5.580 2.881 -2.485 0.00 0.00 +0.145 HD ENDBRANCH 28 35 ENDBRANCH 23 25 ENDBRANCH 21 23 ENDBRANCH 6 21 TORSDOF 7