REMARK Name = BDB048570 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -5.474 -2.055 0.864 0.00 0.00 +0.066 C ATOM 2 C LIG 1 -5.272 -0.894 -0.069 0.00 0.00 +0.048 A ATOM 3 C LIG 1 -4.014 -0.545 -0.574 0.00 0.00 +0.032 A ATOM 4 C LIG 1 -2.770 -1.320 -0.234 0.00 0.00 +0.145 C ATOM 5 N LIG 1 -2.827 -2.700 -0.663 0.00 0.00 -0.307 N ATOM 6 H LIG 1 -3.526 -2.960 -1.348 0.00 0.00 +0.149 HD ATOM 7 C LIG 1 -2.172 -3.783 -0.133 0.00 0.00 +0.247 C ATOM 8 C LIG 1 -1.083 -3.588 0.806 0.00 0.00 +0.074 A ATOM 9 C LIG 1 -0.157 -2.567 0.896 0.00 0.00 +0.121 A ATOM 10 N LIG 1 0.694 -2.886 1.922 0.00 0.00 -0.266 N ATOM 11 C LIG 1 1.832 -2.116 2.425 0.00 0.00 +0.182 C ATOM 12 C LIG 1 2.616 -1.439 1.328 0.00 0.00 +0.016 A ATOM 13 C LIG 1 2.674 -0.046 1.193 0.00 0.00 +0.126 A ATOM 14 O LIG 1 2.041 0.795 2.069 0.00 0.00 -0.491 OA ATOM 15 C LIG 1 0.667 1.006 1.708 0.00 0.00 +0.233 C ATOM 16 C LIG 1 0.295 2.480 1.904 0.00 0.00 +0.068 C ATOM 17 C LIG 1 0.765 3.333 0.753 0.00 0.00 -0.028 C ATOM 18 C LIG 1 0.016 4.025 -0.122 0.00 0.00 -0.031 C ATOM 19 C LIG 1 -1.480 4.171 -0.144 0.00 0.00 +0.030 C ATOM 20 C LIG 1 -2.160 3.323 -1.221 0.00 0.00 +0.045 C ATOM 21 C LIG 1 -2.050 1.826 -0.940 0.00 0.00 +0.229 C ATOM 22 O LIG 1 -2.799 1.077 -1.911 0.00 0.00 -0.491 OA ATOM 23 C LIG 1 3.457 0.546 0.197 0.00 0.00 +0.051 A ATOM 24 C LIG 1 4.169 -0.244 -0.715 0.00 0.00 -0.023 A ATOM 25 C LIG 1 4.094 -1.638 -0.601 0.00 0.00 +0.006 A ATOM 26 C LIG 1 3.335 -2.227 0.413 0.00 0.00 +0.009 A ATOM 27 N LIG 1 0.371 -4.050 2.520 0.00 0.00 -0.179 NA ATOM 28 C LIG 1 -0.677 -4.489 1.818 0.00 0.00 +0.147 A ATOM 29 O LIG 1 -2.546 -4.908 -0.455 0.00 0.00 -0.270 OA ATOM 30 C LIG 1 -3.972 0.595 -1.387 0.00 0.00 +0.130 A ATOM 31 C LIG 1 -5.138 1.263 -1.748 0.00 0.00 +0.089 A ATOM 32 C LIG 1 -6.339 0.823 -1.227 0.00 0.00 +0.120 A ATOM 33 N LIG 1 -6.408 -0.223 -0.393 0.00 0.00 -0.237 NA ENDROOT BRANCH 32 34 ATOM 34 N LIG 1 -7.533 1.466 -1.562 0.00 0.00 -0.343 N ATOM 35 H LIG 1 -7.486 2.445 -1.301 0.00 0.00 +0.144 HD ATOM 36 H LIG 1 -7.680 1.412 -2.566 0.00 0.00 +0.144 HD ENDBRANCH 32 34 BRANCH 24 37 ATOM 37 C LIG 1 5.008 0.393 -1.796 0.00 0.00 +0.178 C BRANCH 37 38 ATOM 38 N LIG 1 6.431 0.169 -1.579 0.00 0.00 -0.267 N ATOM 39 N LIG 1 7.103 -0.713 -2.351 0.00 0.00 -0.179 NA ATOM 40 C LIG 1 8.355 -0.641 -1.894 0.00 0.00 +0.134 A ATOM 41 C LIG 1 8.495 0.291 -0.850 0.00 0.00 +0.041 A ATOM 42 C LIG 1 7.233 0.807 -0.673 0.00 0.00 +0.108 A ENDBRANCH 37 38 ENDBRANCH 24 37 TORSDOF 3