REMARK Name = BDB035880 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.584 2.442 0.394 0.00 0.00 -0.004 A ATOM 2 C LIG 1 1.264 1.809 0.738 0.00 0.00 +0.143 A ATOM 3 N LIG 1 1.305 0.572 1.376 0.00 0.00 -0.267 N ATOM 4 C LIG 1 0.123 -0.077 1.732 0.00 0.00 +0.266 A ATOM 5 C LIG 1 -1.141 0.631 1.380 0.00 0.00 +0.065 A ATOM 6 C LIG 1 -1.014 1.821 0.779 0.00 0.00 +0.127 A ATOM 7 O LIG 1 0.083 -1.171 2.299 0.00 0.00 -0.267 OA ATOM 8 C LIG 1 2.516 -0.046 1.667 0.00 0.00 +0.101 A ATOM 9 C LIG 1 3.702 0.492 1.342 0.00 0.00 -0.016 A ATOM 10 N LIG 1 0.160 2.426 0.443 0.00 0.00 -0.236 NA ATOM 11 C LIG 1 3.716 1.795 0.715 0.00 0.00 +0.013 A ENDROOT BRANCH 5 12 ATOM 12 C LIG 1 -2.472 0.083 1.694 0.00 0.00 -0.011 A ATOM 13 C LIG 1 -3.437 -0.087 0.682 0.00 0.00 +0.013 A ATOM 14 C LIG 1 -4.728 -0.601 0.934 0.00 0.00 -0.033 A ATOM 15 C LIG 1 -5.005 -0.934 2.277 0.00 0.00 +0.004 A ATOM 16 C LIG 1 -4.063 -0.780 3.296 0.00 0.00 +0.001 A ATOM 17 C LIG 1 -2.800 -0.275 3.004 0.00 0.00 +0.009 A BRANCH 14 18 ATOM 18 C LIG 1 -5.851 -0.800 -0.208 0.00 0.00 +0.056 C ATOM 19 C LIG 1 -5.437 -0.851 -1.719 0.00 0.00 +0.022 C ATOM 20 C LIG 1 -5.497 -2.392 -1.672 0.00 0.00 -0.012 C ATOM 21 C LIG 1 -4.174 -3.126 -1.515 0.00 0.00 +0.007 C ATOM 22 C LIG 1 -6.371 -2.272 -0.407 0.00 0.00 +0.022 C BRANCH 18 23 ATOM 23 C LIG 1 -7.031 0.231 0.040 0.00 0.00 +0.144 A ATOM 24 N LIG 1 -6.974 1.596 -0.034 0.00 0.00 -0.320 N ATOM 25 C LIG 1 -5.841 2.419 -0.353 0.00 0.00 +0.151 C ATOM 26 C LIG 1 -8.221 2.043 0.276 0.00 0.00 +0.224 A ATOM 27 N LIG 1 -9.003 1.020 0.529 0.00 0.00 -0.138 NA ATOM 28 N LIG 1 -8.252 -0.122 0.388 0.00 0.00 -0.134 NA ENDBRANCH 18 23 ENDBRANCH 14 18 ENDBRANCH 5 12 BRANCH 1 30 ATOM 29 C LIG 1 2.312 3.728 -1.749 0.00 0.00 +0.009 C ATOM 30 C LIG 1 2.583 3.801 -0.252 0.00 0.00 +0.035 C ENDBRANCH 1 30 BRANCH 9 31 ATOM 31 C LIG 1 5.017 -0.177 1.690 0.00 0.00 +0.121 C BRANCH 31 32 ATOM 32 N LIG 1 5.723 -0.876 0.615 0.00 0.00 -0.298 NA ATOM 33 C LIG 1 6.227 -0.036 -0.464 0.00 0.00 +0.088 C ATOM 34 C LIG 1 7.326 -0.779 -1.254 0.00 0.00 +0.000 C ATOM 35 C LIG 1 8.704 -0.595 -0.614 0.00 0.00 +0.009 C ATOM 36 C LIG 1 7.018 -2.281 -1.415 0.00 0.00 +0.006 C ATOM 37 C LIG 1 5.531 -2.559 -1.240 0.00 0.00 +0.016 C ATOM 38 C LIG 1 5.034 -2.078 0.132 0.00 0.00 +0.085 C ENDBRANCH 31 32 ENDBRANCH 9 31 TORSDOF 6