REMARK Name = BDB019966 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.923 -1.460 0.338 0.00 0.00 -0.026 A ATOM 2 C LIG 1 -2.200 -0.129 -0.021 0.00 0.00 +0.014 A ATOM 3 C LIG 1 -1.182 0.759 -0.407 0.00 0.00 -0.015 A ATOM 4 C LIG 1 0.141 0.298 -0.409 0.00 0.00 +0.021 A ATOM 5 C LIG 1 0.443 -1.003 0.007 0.00 0.00 +0.038 A ATOM 6 C LIG 1 -0.586 -1.881 0.362 0.00 0.00 +0.018 A ENDROOT BRANCH 3 7 ATOM 7 C LIG 1 -1.506 2.130 -0.826 0.00 0.00 +0.012 A ATOM 8 C LIG 1 -1.157 3.276 -0.086 0.00 0.00 +0.151 A ATOM 9 N LIG 1 -1.455 4.542 -0.521 0.00 0.00 -0.250 NA ATOM 10 C LIG 1 -2.121 4.678 -1.687 0.00 0.00 +0.111 A ATOM 11 C LIG 1 -2.513 3.611 -2.468 0.00 0.00 +0.020 A ATOM 12 C LIG 1 -2.201 2.328 -2.031 0.00 0.00 +0.012 A BRANCH 8 13 ATOM 13 C LIG 1 -0.421 3.146 1.243 0.00 0.00 +0.435 C ATOM 14 F LIG 1 -0.300 4.321 1.929 0.00 0.00 -0.164 F ATOM 15 F LIG 1 0.862 2.688 1.097 0.00 0.00 -0.164 F ATOM 16 F LIG 1 -1.021 2.284 2.116 0.00 0.00 -0.164 F ENDBRANCH 8 13 ENDBRANCH 3 7 BRANCH 5 17 ATOM 17 C LIG 1 1.846 -1.488 0.069 0.00 0.00 +0.245 C ATOM 18 N LIG 1 2.784 -0.550 0.433 0.00 0.00 -0.303 N ATOM 19 H LIG 1 2.481 0.358 0.753 0.00 0.00 +0.150 HD ATOM 20 O LIG 1 2.094 -2.663 -0.171 0.00 0.00 -0.270 OA BRANCH 18 21 ATOM 21 C LIG 1 4.191 -0.884 0.599 0.00 0.00 +0.125 C BRANCH 21 22 ATOM 22 C LIG 1 4.756 -0.242 1.869 0.00 0.00 +0.062 A ATOM 23 N LIG 1 5.164 -1.080 2.860 0.00 0.00 -0.255 NA ATOM 24 C LIG 1 5.651 -0.520 3.994 0.00 0.00 +0.149 A ATOM 25 C LIG 1 5.750 0.844 4.191 0.00 0.00 +0.141 A ATOM 26 F LIG 1 6.240 1.337 5.335 0.00 0.00 -0.204 F ATOM 27 C LIG 1 5.334 1.696 3.183 0.00 0.00 +0.042 A ATOM 28 C LIG 1 4.828 1.151 2.004 0.00 0.00 +0.028 A ENDBRANCH 21 22 BRANCH 21 29 ATOM 29 C LIG 1 5.024 -0.474 -0.601 0.00 0.00 +0.015 C ATOM 30 C LIG 1 4.659 0.665 -1.529 0.00 0.00 +0.006 C ATOM 31 C LIG 1 4.573 -0.754 -2.018 0.00 0.00 +0.006 C ENDBRANCH 21 29 ENDBRANCH 18 21 ENDBRANCH 5 17 BRANCH 1 32 ATOM 32 C LIG 1 -3.015 -2.428 0.751 0.00 0.00 +0.159 C BRANCH 32 38 ATOM 33 C LIG 1 -6.616 -2.349 -2.647 0.00 0.00 +0.152 C ATOM 34 N LIG 1 -5.895 -2.125 -1.419 0.00 0.00 -0.320 N ATOM 35 C LIG 1 -4.529 -2.386 -1.280 0.00 0.00 +0.204 A ATOM 36 N LIG 1 -3.726 -2.735 -2.220 0.00 0.00 -0.268 NA ATOM 37 H LIG 1 -2.786 -2.849 -1.839 0.00 0.00 +0.190 HD ATOM 38 N LIG 1 -4.278 -2.182 0.083 0.00 0.00 -0.313 N ATOM 39 C LIG 1 -5.470 -1.866 0.729 0.00 0.00 +0.107 A ATOM 40 C LIG 1 -6.451 -1.837 -0.183 0.00 0.00 +0.106 A ENDBRANCH 32 38 ENDBRANCH 1 32 TORSDOF 8