REMARK Name = BDB057245 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.402 1.275 0.188 0.00 0.00 +0.012 A ATOM 2 C LIG 1 -0.494 2.131 -0.922 0.00 0.00 +0.126 A ATOM 3 C LIG 1 -1.517 1.978 -1.859 0.00 0.00 +0.046 A ATOM 4 C LIG 1 -2.452 0.949 -1.715 0.00 0.00 +0.013 A ATOM 5 C LIG 1 -2.382 0.072 -0.627 0.00 0.00 +0.002 A ATOM 6 C LIG 1 -1.360 0.254 0.319 0.00 0.00 +0.018 A ENDROOT BRANCH 5 7 ATOM 7 C LIG 1 -3.341 -1.008 -0.440 0.00 0.00 +0.089 A ATOM 8 N LIG 1 -3.443 -1.725 0.750 0.00 0.00 -0.232 NA ATOM 9 C LIG 1 -4.384 -2.600 0.519 0.00 0.00 +0.110 A ATOM 10 C LIG 1 -5.039 -3.698 1.253 0.00 0.00 +0.076 C ATOM 11 C LIG 1 -5.746 -4.459 0.102 0.00 0.00 +0.029 C ATOM 12 C LIG 1 -5.915 -3.441 -1.042 0.00 0.00 +0.123 C ATOM 13 N LIG 1 -4.884 -2.474 -0.737 0.00 0.00 -0.334 N ATOM 14 C LIG 1 -4.247 -1.482 -1.383 0.00 0.00 +0.115 A ENDBRANCH 5 7 BRANCH 1 15 ATOM 15 C LIG 1 0.696 1.504 1.208 0.00 0.00 +0.146 C BRANCH 15 17 ATOM 16 C LIG 1 1.795 -0.626 2.017 0.00 0.00 +0.247 C ATOM 17 N LIG 1 0.892 0.423 2.182 0.00 0.00 -0.293 N ATOM 18 O LIG 1 2.018 -1.490 2.862 0.00 0.00 -0.270 OA BRANCH 16 21 ATOM 19 C LIG 1 2.737 -1.277 -1.575 0.00 0.00 +0.121 A ATOM 20 C LIG 1 1.985 -1.195 -0.401 0.00 0.00 +0.058 A ATOM 21 C LIG 1 2.572 -0.705 0.767 0.00 0.00 +0.040 A ATOM 22 C LIG 1 3.916 -0.328 0.788 0.00 0.00 +0.013 A ATOM 23 C LIG 1 4.667 -0.412 -0.382 0.00 0.00 +0.004 A ATOM 24 C LIG 1 4.078 -0.881 -1.562 0.00 0.00 +0.045 A BRANCH 19 26 ATOM 25 C LIG 1 2.768 -1.846 -3.884 0.00 0.00 +0.277 C ATOM 26 O LIG 1 2.053 -1.754 -2.659 0.00 0.00 -0.495 OA ENDBRANCH 19 26 ENDBRANCH 16 21 BRANCH 17 27 ATOM 27 C LIG 1 0.158 0.511 3.440 0.00 0.00 +0.112 C BRANCH 27 28 ATOM 28 C LIG 1 0.863 1.425 4.402 0.00 0.00 +0.006 C ATOM 29 C LIG 1 0.692 1.232 5.888 0.00 0.00 +0.005 C ATOM 30 C LIG 1 2.015 0.931 5.240 0.00 0.00 +0.005 C ENDBRANCH 27 28 ENDBRANCH 17 27 ENDBRANCH 15 17 ENDBRANCH 1 15 BRANCH 2 31 ATOM 31 O LIG 1 0.434 3.142 -1.017 0.00 0.00 -0.488 OA BRANCH 31 32 ATOM 32 C LIG 1 0.976 3.433 -2.328 0.00 0.00 +0.173 C ATOM 33 C LIG 1 1.779 2.312 -3.039 0.00 0.00 +0.044 C ATOM 34 C LIG 1 3.050 2.901 -2.403 0.00 0.00 +0.007 C ATOM 35 C LIG 1 2.300 4.242 -2.305 0.00 0.00 +0.044 C ENDBRANCH 31 32 ENDBRANCH 2 31 TORSDOF 9