REMARK Name = BDB017398 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.033 0.254 1.079 0.00 0.00 +0.163 C ATOM 2 C LIG 1 0.151 1.210 0.840 0.00 0.00 +0.237 C ATOM 3 O LIG 1 1.077 1.271 1.650 0.00 0.00 -0.274 OA ATOM 4 N LIG 1 0.144 1.941 -0.361 0.00 0.00 -0.280 N ATOM 5 C LIG 1 -0.924 2.917 -0.609 0.00 0.00 +0.124 C ATOM 6 C LIG 1 -0.433 4.178 0.116 0.00 0.00 +0.031 C ATOM 7 C LIG 1 1.099 4.070 0.080 0.00 0.00 +0.034 C ATOM 8 C LIG 1 -2.331 2.562 -0.287 0.00 0.00 +0.041 A ATOM 9 N LIG 1 -3.364 3.068 -1.045 0.00 0.00 -0.356 N ATOM 10 H LIG 1 -3.259 3.665 -1.854 0.00 0.00 +0.166 HD ATOM 11 C LIG 1 -4.580 2.660 -0.554 0.00 0.00 +0.047 A ATOM 12 C LIG 1 -4.326 1.863 0.559 0.00 0.00 +0.003 A ATOM 13 C LIG 1 -5.421 1.309 1.253 0.00 0.00 +0.010 A ATOM 14 C LIG 1 -6.722 1.572 0.809 0.00 0.00 +0.001 A ATOM 15 C LIG 1 -6.942 2.376 -0.307 0.00 0.00 +0.002 A ATOM 16 C LIG 1 -5.873 2.936 -1.011 0.00 0.00 +0.026 A ATOM 17 C LIG 1 -2.907 1.806 0.719 0.00 0.00 -0.015 A ATOM 18 C LIG 1 1.366 2.730 -0.612 0.00 0.00 +0.163 C ATOM 19 C LIG 1 -2.150 1.048 1.750 0.00 0.00 +0.069 C ENDROOT BRANCH 1 21 ATOM 20 C LIG 1 -0.847 -2.173 1.877 0.00 0.00 +0.230 C ATOM 21 N LIG 1 -0.573 -0.840 1.939 0.00 0.00 -0.302 N ATOM 22 H LIG 1 0.115 -0.595 2.648 0.00 0.00 +0.150 HD ATOM 23 O LIG 1 -0.320 -2.913 2.713 0.00 0.00 -0.274 OA BRANCH 20 24 ATOM 24 C LIG 1 -1.812 -2.720 0.795 0.00 0.00 +0.137 C ATOM 25 C LIG 1 -3.260 -2.498 1.220 0.00 0.00 +0.034 C BRANCH 24 27 ATOM 26 C LIG 1 -0.408 -4.487 -0.120 0.00 0.00 +0.101 C ATOM 27 N LIG 1 -1.626 -4.182 0.622 0.00 0.00 -0.309 NA ATOM 28 H LIG 1 -1.526 -4.579 1.561 0.00 0.00 +0.122 HD ENDBRANCH 24 27 ENDBRANCH 20 24 ENDBRANCH 1 21 BRANCH 18 29 ATOM 29 C LIG 1 2.785 2.170 -0.404 0.00 0.00 +0.234 C ATOM 30 N LIG 1 2.919 0.827 -0.686 0.00 0.00 -0.307 N ATOM 31 H LIG 1 2.080 0.264 -0.692 0.00 0.00 +0.149 HD ATOM 32 O LIG 1 3.747 2.904 -0.178 0.00 0.00 -0.274 OA BRANCH 30 33 ATOM 33 C LIG 1 4.184 0.141 -0.468 0.00 0.00 +0.103 C ATOM 34 C LIG 1 3.916 -1.312 -0.123 0.00 0.00 -0.024 A ATOM 35 C LIG 1 4.170 -2.351 -1.037 0.00 0.00 -0.042 A ATOM 36 C LIG 1 3.907 -3.678 -0.661 0.00 0.00 +0.004 A ATOM 37 C LIG 1 3.376 -3.969 0.595 0.00 0.00 +0.000 A ATOM 38 C LIG 1 3.098 -2.940 1.490 0.00 0.00 +0.000 A ATOM 39 C LIG 1 4.787 -2.086 -2.389 0.00 0.00 +0.035 C ATOM 40 C LIG 1 4.690 -0.627 -2.822 0.00 0.00 +0.007 C ATOM 41 C LIG 1 3.366 -1.620 1.134 0.00 0.00 +0.006 A ATOM 42 C LIG 1 5.107 0.301 -1.685 0.00 0.00 +0.027 C ENDBRANCH 30 33 ENDBRANCH 18 29 TORSDOF 5