REMARK Name = BDB064778 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.199 -0.612 -0.141 0.00 0.00 +0.176 C ATOM 2 C LIG 1 -2.312 -1.646 -0.329 0.00 0.00 +0.063 C ATOM 3 C LIG 1 -3.639 -0.965 -0.629 0.00 0.00 +0.111 C ATOM 4 N LIG 1 -3.977 0.044 0.379 0.00 0.00 -0.297 N ATOM 5 C LIG 1 -5.294 0.456 0.611 0.00 0.00 +0.249 C ATOM 6 O LIG 1 -5.590 1.579 1.016 0.00 0.00 -0.270 OA ATOM 7 C LIG 1 -2.928 1.017 0.676 0.00 0.00 +0.111 C ATOM 8 C LIG 1 -1.595 0.348 0.981 0.00 0.00 +0.063 C ENDROOT BRANCH 5 9 ATOM 9 C LIG 1 -6.411 -0.472 0.353 0.00 0.00 +0.072 A ATOM 10 C LIG 1 -6.450 -1.739 0.928 0.00 0.00 +0.135 A ATOM 11 F LIG 1 -5.446 -2.180 1.699 0.00 0.00 -0.205 F ATOM 12 C LIG 1 -7.537 -2.578 0.705 0.00 0.00 +0.039 A ATOM 13 C LIG 1 -8.608 -2.137 -0.077 0.00 0.00 +0.007 A ATOM 14 C LIG 1 -8.607 -0.845 -0.627 0.00 0.00 -0.041 A ATOM 15 C LIG 1 -7.493 -0.020 -0.414 0.00 0.00 +0.020 A BRANCH 14 16 ATOM 16 C LIG 1 -9.771 -0.354 -1.459 0.00 0.00 +0.093 C BRANCH 16 17 ATOM 17 C LIG 1 -11.120 -0.520 -0.771 0.00 0.00 +0.074 A ATOM 18 C LIG 1 -11.536 0.427 0.296 0.00 0.00 +0.011 A ATOM 19 C LIG 1 -12.778 0.209 0.889 0.00 0.00 +0.050 A ATOM 20 C LIG 1 -13.244 1.054 1.905 0.00 0.00 +0.014 A ATOM 21 C LIG 1 -12.459 2.124 2.330 0.00 0.00 +0.001 A ATOM 22 C LIG 1 -11.216 2.348 1.741 0.00 0.00 +0.001 A ATOM 23 C LIG 1 -13.601 -0.924 0.438 0.00 0.00 +0.272 A ATOM 24 O LIG 1 -14.701 -1.152 0.928 0.00 0.00 -0.266 OA ATOM 25 N LIG 1 -13.066 -1.701 -0.559 0.00 0.00 -0.242 N ATOM 26 H LIG 1 -13.622 -2.485 -0.885 0.00 0.00 +0.192 HD ATOM 27 C LIG 1 -10.753 1.505 0.725 0.00 0.00 +0.010 A ATOM 28 N LIG 1 -11.859 -1.520 -1.158 0.00 0.00 -0.175 NA ENDBRANCH 16 17 ENDBRANCH 14 16 ENDBRANCH 5 9 BRANCH 1 29 ATOM 29 O LIG 1 -0.013 -1.330 0.213 0.00 0.00 -0.489 OA BRANCH 29 34 ATOM 30 C LIG 1 5.109 0.475 -1.126 0.00 0.00 +0.131 A ATOM 31 C LIG 1 3.818 0.010 -0.781 0.00 0.00 +0.042 A ATOM 32 C LIG 1 2.732 0.892 -0.963 0.00 0.00 +0.078 A ATOM 33 C LIG 1 1.450 0.464 -0.637 0.00 0.00 +0.074 A ATOM 34 C LIG 1 1.203 -0.815 -0.138 0.00 0.00 +0.123 A ATOM 35 C LIG 1 2.274 -1.683 0.053 0.00 0.00 +0.046 A ATOM 36 N LIG 1 2.885 2.137 -1.440 0.00 0.00 -0.255 NA ATOM 37 C LIG 1 4.130 2.547 -1.756 0.00 0.00 +0.115 A ATOM 38 C LIG 1 3.569 -1.280 -0.267 0.00 0.00 +0.017 A ATOM 39 C LIG 1 5.261 1.766 -1.620 0.00 0.00 +0.066 A BRANCH 30 40 ATOM 40 O LIG 1 6.143 -0.410 -0.941 0.00 0.00 -0.489 OA BRANCH 40 41 ATOM 41 C LIG 1 7.459 0.020 -1.297 0.00 0.00 +0.252 C BRANCH 41 42 ATOM 42 C LIG 1 8.429 -1.130 -1.035 0.00 0.00 +0.188 C BRANCH 42 45 ATOM 43 C LIG 1 11.772 0.063 -0.480 0.00 0.00 +0.095 A ATOM 44 N LIG 1 10.548 -0.294 -0.251 0.00 0.00 -0.168 NA ATOM 45 N LIG 1 9.810 -0.761 -1.319 0.00 0.00 -0.226 N ATOM 46 C LIG 1 10.279 -0.805 -2.625 0.00 0.00 +0.267 A ATOM 47 O LIG 1 9.612 -1.138 -3.600 0.00 0.00 -0.266 OA ATOM 48 C LIG 1 11.689 -0.408 -2.819 0.00 0.00 +0.074 A ATOM 49 C LIG 1 12.435 0.013 -1.795 0.00 0.00 +0.035 A BRANCH 43 54 ATOM 50 C LIG 1 13.211 1.431 4.079 0.00 0.00 +0.172 C ATOM 51 N LIG 1 13.183 1.156 2.663 0.00 0.00 -0.274 N ATOM 52 N LIG 1 14.272 1.402 1.917 0.00 0.00 -0.179 NA ATOM 53 C LIG 1 13.899 1.036 0.688 0.00 0.00 +0.144 A ATOM 54 C LIG 1 12.568 0.554 0.629 0.00 0.00 +0.039 A ATOM 55 C LIG 1 12.142 0.653 1.944 0.00 0.00 +0.118 A ENDBRANCH 43 54 ENDBRANCH 42 45 ENDBRANCH 41 42 ENDBRANCH 40 41 ENDBRANCH 30 40 ENDBRANCH 29 34 ENDBRANCH 1 29 TORSDOF 10