REMARK Name = BDB019941 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.649 -0.489 -0.231 0.00 0.00 -0.013 A ATOM 2 C LIG 1 -0.252 -0.410 -0.224 0.00 0.00 +0.021 A ATOM 3 C LIG 1 0.394 0.610 -0.930 0.00 0.00 +0.038 A ATOM 4 C LIG 1 -0.357 1.540 -1.662 0.00 0.00 +0.018 A ATOM 5 C LIG 1 -1.758 1.485 -1.664 0.00 0.00 -0.026 A ATOM 6 C LIG 1 -2.393 0.457 -0.947 0.00 0.00 +0.014 A ENDROOT BRANCH 1 10 ATOM 7 N LIG 1 -2.978 -2.828 2.143 0.00 0.00 -0.271 N ATOM 8 N LIG 1 -3.652 -3.311 1.085 0.00 0.00 -0.167 NA ATOM 9 C LIG 1 -3.265 -2.531 0.053 0.00 0.00 +0.173 A ATOM 10 C LIG 1 -2.325 -1.549 0.489 0.00 0.00 +0.032 A ATOM 11 C LIG 1 -2.160 -1.783 1.837 0.00 0.00 +0.117 A BRANCH 9 12 ATOM 12 C LIG 1 -3.782 -2.720 -1.349 0.00 0.00 +0.437 C ATOM 13 F LIG 1 -4.635 -1.722 -1.713 0.00 0.00 -0.164 F ATOM 14 F LIG 1 -4.456 -3.888 -1.528 0.00 0.00 -0.164 F ATOM 15 F LIG 1 -2.776 -2.716 -2.267 0.00 0.00 -0.164 F ENDBRANCH 9 12 BRANCH 7 17 ATOM 16 C LIG 1 -4.387 -2.877 4.163 0.00 0.00 +0.029 C ATOM 17 C LIG 1 -3.166 -3.429 3.450 0.00 0.00 +0.140 C ENDBRANCH 7 17 ENDBRANCH 1 10 BRANCH 3 18 ATOM 18 C LIG 1 1.877 0.724 -0.962 0.00 0.00 +0.245 C ATOM 19 N LIG 1 2.542 0.321 0.172 0.00 0.00 -0.304 N ATOM 20 H LIG 1 2.030 0.027 0.989 0.00 0.00 +0.150 HD ATOM 21 O LIG 1 2.429 1.188 -1.953 0.00 0.00 -0.270 OA BRANCH 19 22 ATOM 22 C LIG 1 3.989 0.305 0.236 0.00 0.00 +0.107 C BRANCH 22 23 ATOM 23 C LIG 1 4.540 -1.044 -0.200 0.00 0.00 -0.027 A ATOM 24 C LIG 1 5.474 -1.106 -1.250 0.00 0.00 +0.011 A ATOM 25 C LIG 1 6.010 -2.330 -1.674 0.00 0.00 -0.015 A ATOM 26 C LIG 1 6.977 -2.393 -2.816 0.00 0.00 +0.047 C ATOM 27 C LIG 1 5.579 -3.501 -1.050 0.00 0.00 +0.126 A ATOM 28 F LIG 1 6.058 -4.688 -1.449 0.00 0.00 -0.205 F ATOM 29 C LIG 1 4.653 -3.467 -0.013 0.00 0.00 +0.039 A ATOM 30 C LIG 1 4.135 -2.244 0.412 0.00 0.00 +0.008 A ENDBRANCH 22 23 BRANCH 22 31 ATOM 31 C LIG 1 4.420 0.619 1.649 0.00 0.00 +0.014 C ATOM 32 C LIG 1 4.425 2.049 2.137 0.00 0.00 +0.006 C ATOM 33 C LIG 1 5.726 1.330 1.912 0.00 0.00 +0.006 C ENDBRANCH 22 31 ENDBRANCH 19 22 ENDBRANCH 3 18 BRANCH 5 34 ATOM 34 C LIG 1 -2.558 2.491 -2.466 0.00 0.00 +0.159 C BRANCH 34 35 ATOM 35 N LIG 1 -3.663 3.041 -1.708 0.00 0.00 -0.313 N ATOM 36 C LIG 1 -3.548 3.929 -0.631 0.00 0.00 +0.204 A ATOM 37 N LIG 1 -2.495 4.392 -0.058 0.00 0.00 -0.268 NA ATOM 38 H LIG 1 -1.669 3.991 -0.500 0.00 0.00 +0.190 HD ATOM 39 N LIG 1 -4.870 4.232 -0.296 0.00 0.00 -0.320 N ATOM 40 C LIG 1 -5.225 5.210 0.701 0.00 0.00 +0.152 C ATOM 41 C LIG 1 -5.739 3.592 -1.165 0.00 0.00 +0.106 A ATOM 42 C LIG 1 -5.009 2.864 -2.020 0.00 0.00 +0.107 A ENDBRANCH 34 35 ENDBRANCH 5 34 TORSDOF 9