REMARK Name = BDB035496 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.442 -0.224 0.450 0.00 0.00 -0.263 N ATOM 2 C LIG 1 0.729 -0.364 1.204 0.00 0.00 +0.251 C ATOM 3 O LIG 1 0.936 -0.924 2.265 0.00 0.00 -0.270 OA ATOM 4 C LIG 1 1.794 0.336 0.476 0.00 0.00 +0.043 A ATOM 5 C LIG 1 3.127 0.474 0.815 0.00 0.00 +0.018 A ATOM 6 C LIG 1 3.956 1.203 -0.051 0.00 0.00 -0.032 A ATOM 7 C LIG 1 3.414 1.754 -1.236 0.00 0.00 +0.017 A ATOM 8 C LIG 1 2.053 1.602 -1.568 0.00 0.00 +0.061 A ATOM 9 C LIG 1 1.256 0.882 -0.683 0.00 0.00 -0.006 A ATOM 10 C LIG 1 -0.201 0.554 -0.759 0.00 0.00 +0.150 C ENDROOT BRANCH 1 13 ATOM 11 C LIG 1 -4.120 -1.017 0.212 0.00 0.00 -0.032 A ATOM 12 C LIG 1 -2.825 -0.518 -0.072 0.00 0.00 +0.028 A ATOM 13 C LIG 1 -1.724 -0.749 0.770 0.00 0.00 +0.037 A ATOM 14 C LIG 1 -1.944 -1.507 1.923 0.00 0.00 +0.023 A ATOM 15 C LIG 1 -3.212 -2.011 2.225 0.00 0.00 +0.002 A ATOM 16 C LIG 1 -4.292 -1.767 1.379 0.00 0.00 +0.004 A BRANCH 11 17 ATOM 17 C LIG 1 -5.244 -0.686 -0.770 0.00 0.00 +0.123 C BRANCH 17 20 ATOM 18 C LIG 1 -5.693 1.394 1.644 0.00 0.00 +0.151 C ATOM 19 N LIG 1 -5.814 1.633 0.231 0.00 0.00 -0.320 N ATOM 20 C LIG 1 -5.614 0.772 -0.820 0.00 0.00 +0.143 A ATOM 21 N LIG 1 -5.812 1.440 -1.944 0.00 0.00 -0.134 NA ATOM 22 N LIG 1 -6.144 2.732 -1.631 0.00 0.00 -0.138 NA ATOM 23 C LIG 1 -6.142 2.834 -0.325 0.00 0.00 +0.224 A ENDBRANCH 17 20 BRANCH 17 24 ATOM 24 C LIG 1 -6.501 -1.568 -0.669 0.00 0.00 +0.126 C ATOM 25 C LIG 1 -7.362 -1.576 -1.964 0.00 0.00 +0.198 C ATOM 26 O LIG 1 -7.439 -3.028 -1.920 0.00 0.00 -0.374 OA ATOM 27 C LIG 1 -6.292 -3.061 -1.031 0.00 0.00 +0.198 C BRANCH 24 28 ATOM 28 O LIG 1 -7.257 -1.325 0.557 0.00 0.00 -0.383 OA ATOM 29 H LIG 1 -8.064 -1.866 0.451 0.00 0.00 +0.210 HD ENDBRANCH 24 28 ENDBRANCH 17 24 ENDBRANCH 11 17 ENDBRANCH 1 13 BRANCH 8 30 ATOM 30 C LIG 1 1.475 2.192 -2.826 0.00 0.00 +0.418 C ATOM 31 F LIG 1 2.391 2.827 -3.606 0.00 0.00 -0.166 F ATOM 32 F LIG 1 0.893 1.249 -3.617 0.00 0.00 -0.166 F ATOM 33 F LIG 1 0.503 3.108 -2.563 0.00 0.00 -0.166 F ENDBRANCH 8 30 BRANCH 6 34 ATOM 34 C LIG 1 5.427 1.361 0.270 0.00 0.00 +0.116 C BRANCH 34 35 ATOM 35 N LIG 1 6.147 0.136 -0.069 0.00 0.00 -0.307 NA ATOM 36 H LIG 1 6.070 -0.026 -1.072 0.00 0.00 +0.123 HD BRANCH 35 37 ATOM 37 C LIG 1 7.533 0.127 0.435 0.00 0.00 +0.017 C ATOM 38 C LIG 1 7.542 -0.242 1.946 0.00 0.00 +0.022 C ATOM 39 C LIG 1 7.572 -1.732 1.550 0.00 0.00 +0.004 C ATOM 40 C LIG 1 8.098 -1.300 0.166 0.00 0.00 +0.022 C ATOM 41 C LIG 1 8.404 1.265 -0.052 0.00 0.00 +0.027 C ENDBRANCH 35 37 ENDBRANCH 34 35 ENDBRANCH 6 34 TORSDOF 9