REMARK Name = BDB062456 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.674 1.359 -1.316 0.00 0.00 -0.042 A ATOM 2 C LIG 1 -2.684 0.438 -0.984 0.00 0.00 +0.031 A ATOM 3 C LIG 1 -3.692 0.108 -1.901 0.00 0.00 +0.066 A ATOM 4 C LIG 1 -3.663 0.688 -3.179 0.00 0.00 +0.028 A ATOM 5 C LIG 1 -2.668 1.605 -3.517 0.00 0.00 +0.002 A ATOM 6 C LIG 1 -1.684 1.943 -2.590 0.00 0.00 +0.004 A ENDROOT BRANCH 1 9 ATOM 7 C LIG 1 1.410 0.890 1.017 0.00 0.00 +0.076 C ATOM 8 C LIG 1 0.281 0.501 0.049 0.00 0.00 +0.021 C ATOM 9 C LIG 1 -0.573 1.723 -0.333 0.00 0.00 +0.020 C ATOM 10 C LIG 1 -1.133 2.419 0.918 0.00 0.00 +0.008 C ATOM 11 C LIG 1 -0.020 2.787 1.897 0.00 0.00 +0.001 C ATOM 12 C LIG 1 0.825 1.570 2.265 0.00 0.00 +0.013 C BRANCH 7 15 ATOM 13 C LIG 1 3.744 -0.077 -0.613 0.00 0.00 +0.076 C ATOM 14 N LIG 1 3.234 -0.799 0.570 0.00 0.00 -0.298 N ATOM 15 C LIG 1 2.197 -0.366 1.401 0.00 0.00 +0.219 C ATOM 16 O LIG 1 1.851 -1.021 2.389 0.00 0.00 -0.275 OA ATOM 17 C LIG 1 3.690 -2.178 0.777 0.00 0.00 +0.108 C ATOM 18 C LIG 1 5.109 -2.445 0.302 0.00 0.00 +0.019 C ATOM 19 C LIG 1 5.336 -2.045 -1.150 0.00 0.00 +0.003 C ATOM 20 C LIG 1 4.322 -1.033 -1.669 0.00 0.00 +0.022 C BRANCH 13 21 ATOM 21 C LIG 1 4.678 1.111 -0.266 0.00 0.00 +0.022 C BRANCH 21 23 ATOM 22 C LIG 1 6.673 2.087 0.920 0.00 0.00 +0.004 C ATOM 23 C LIG 1 5.909 0.812 0.587 0.00 0.00 -0.002 C ENDBRANCH 21 23 ENDBRANCH 13 21 ENDBRANCH 7 15 ENDBRANCH 1 9 BRANCH 3 24 ATOM 24 N LIG 1 -4.721 -0.831 -1.590 0.00 0.00 -0.236 N ATOM 25 C LIG 1 -5.130 -1.347 -0.367 0.00 0.00 +0.062 A ATOM 26 C LIG 1 -5.996 -2.396 -0.635 0.00 0.00 +0.100 A ATOM 27 C LIG 1 -6.170 -2.333 -2.029 0.00 0.00 +0.150 A ATOM 28 N LIG 1 -5.459 -1.366 -2.604 0.00 0.00 -0.174 NA BRANCH 25 29 ATOM 29 C LIG 1 -4.753 -0.867 1.070 0.00 0.00 +0.039 C ATOM 30 C LIG 1 -4.931 0.585 1.443 0.00 0.00 +0.010 C ATOM 31 C LIG 1 -5.864 -0.441 2.002 0.00 0.00 +0.010 C ENDBRANCH 25 29 BRANCH 26 32 ATOM 32 C LIG 1 -6.608 -3.322 0.287 0.00 0.00 +0.340 C ATOM 33 O LIG 1 -6.383 -3.419 1.484 0.00 0.00 -0.245 OA BRANCH 32 34 ATOM 34 O LIG 1 -7.502 -4.158 -0.290 0.00 0.00 -0.477 OA ATOM 35 H LIG 1 -7.804 -4.707 0.463 0.00 0.00 +0.295 HD ENDBRANCH 32 34 ENDBRANCH 26 32 ENDBRANCH 3 24 TORSDOF 8