REMARK Name = BDB059998 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.534 0.627 0.185 0.00 0.00 +0.172 C ENDROOT BRANCH 1 8 ATOM 2 C LIG 1 -4.953 -0.895 -0.002 0.00 0.00 -0.015 A ATOM 3 C LIG 1 -4.386 -0.266 -1.119 0.00 0.00 +0.014 A ATOM 4 C LIG 1 -3.035 0.064 -1.095 0.00 0.00 -0.024 A ATOM 5 C LIG 1 -2.260 0.744 -2.174 0.00 0.00 +0.056 C ATOM 6 C LIG 1 -0.854 0.811 -1.565 0.00 0.00 +0.118 C ATOM 7 N LIG 1 -0.913 0.212 -0.219 0.00 0.00 -0.269 N ATOM 8 C LIG 1 0.138 0.120 0.691 0.00 0.00 +0.241 C ATOM 9 O LIG 1 0.001 -0.333 1.832 0.00 0.00 -0.273 OA ATOM 10 C LIG 1 -2.236 -0.217 0.011 0.00 0.00 +0.040 A ATOM 11 C LIG 1 -2.776 -0.840 1.122 0.00 0.00 +0.024 A ATOM 12 C LIG 1 -4.136 -1.178 1.111 0.00 0.00 +0.010 A BRANCH 2 17 ATOM 13 C LIG 1 -9.598 -1.881 1.458 0.00 0.00 +0.172 C ATOM 14 N LIG 1 -8.413 -1.678 0.661 0.00 0.00 -0.274 N ATOM 15 N LIG 1 -8.480 -1.826 -0.674 0.00 0.00 -0.179 NA ATOM 16 C LIG 1 -7.234 -1.565 -1.077 0.00 0.00 +0.142 A ATOM 17 C LIG 1 -6.362 -1.252 -0.007 0.00 0.00 +0.020 A ATOM 18 C LIG 1 -7.171 -1.333 1.109 0.00 0.00 +0.116 A ENDBRANCH 2 17 ENDBRANCH 1 8 BRANCH 1 19 ATOM 19 C LIG 1 1.673 2.136 0.344 0.00 0.00 -0.022 A ATOM 20 C LIG 1 1.351 2.774 1.552 0.00 0.00 +0.005 A ATOM 21 C LIG 1 1.498 4.155 1.689 0.00 0.00 +0.000 A ATOM 22 C LIG 1 1.980 4.915 0.626 0.00 0.00 +0.000 A ATOM 23 C LIG 1 2.325 4.294 -0.573 0.00 0.00 +0.000 A ATOM 24 C LIG 1 2.179 2.913 -0.713 0.00 0.00 +0.005 A ENDBRANCH 1 19 BRANCH 1 25 ATOM 25 N LIG 1 2.654 -0.036 0.896 0.00 0.00 -0.302 NA ATOM 26 H LIG 1 3.521 0.435 0.638 0.00 0.00 +0.123 HD BRANCH 25 27 ATOM 27 C LIG 1 2.762 -1.462 0.572 0.00 0.00 +0.086 C BRANCH 27 28 ATOM 28 C LIG 1 3.947 -2.119 1.300 0.00 0.00 +0.050 C BRANCH 28 29 ATOM 29 C LIG 1 5.296 -1.634 0.815 0.00 0.00 -0.046 A ATOM 30 C LIG 1 5.991 -0.646 1.527 0.00 0.00 +0.005 A ATOM 31 C LIG 1 7.228 -0.183 1.072 0.00 0.00 +0.019 A ATOM 32 C LIG 1 7.783 -0.704 -0.100 0.00 0.00 +0.052 A ATOM 33 C LIG 1 7.095 -1.689 -0.815 0.00 0.00 +0.019 A ATOM 34 C LIG 1 5.857 -2.151 -0.360 0.00 0.00 +0.005 A BRANCH 32 35 ATOM 35 C LIG 1 9.051 -0.228 -0.569 0.00 0.00 +0.099 C ATOM 36 N LIG 1 10.076 0.158 -0.955 0.00 0.00 -0.191 NA ENDBRANCH 32 35 ENDBRANCH 28 29 ENDBRANCH 27 28 ENDBRANCH 25 27 ENDBRANCH 1 25 TORSDOF 8