REMARK Name = BDB058546 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.829 -2.877 2.444 0.00 0.00 +0.105 C ATOM 2 N LIG 1 -0.601 -1.662 1.667 0.00 0.00 -0.303 NA ATOM 3 C LIG 1 0.759 -1.132 1.896 0.00 0.00 +0.092 C ATOM 4 C LIG 1 0.874 0.409 1.753 0.00 0.00 +0.035 C ATOM 5 C LIG 1 -0.059 0.928 0.649 0.00 0.00 +0.033 C ATOM 6 C LIG 1 -1.523 0.499 0.896 0.00 0.00 +0.088 C ATOM 7 C LIG 1 -1.631 -0.646 1.938 0.00 0.00 +0.106 C ENDROOT BRANCH 4 8 ATOM 8 C LIG 1 2.314 0.855 1.564 0.00 0.00 -0.042 A ATOM 9 C LIG 1 3.034 0.546 0.396 0.00 0.00 +0.012 A ATOM 10 C LIG 1 4.369 0.951 0.220 0.00 0.00 -0.018 A ATOM 11 C LIG 1 4.980 1.679 1.252 0.00 0.00 +0.008 A ATOM 12 C LIG 1 4.281 1.992 2.419 0.00 0.00 +0.001 A ATOM 13 C LIG 1 2.957 1.582 2.574 0.00 0.00 +0.004 A BRANCH 10 14 ATOM 14 C LIG 1 5.104 0.620 -1.012 0.00 0.00 -0.018 A ATOM 15 C LIG 1 4.593 0.967 -2.274 0.00 0.00 +0.008 A ATOM 16 C LIG 1 5.289 0.653 -3.444 0.00 0.00 +0.001 A ATOM 17 C LIG 1 6.508 -0.015 -3.372 0.00 0.00 +0.000 A ATOM 18 C LIG 1 7.033 -0.369 -2.131 0.00 0.00 +0.001 A ATOM 19 C LIG 1 6.336 -0.053 -0.962 0.00 0.00 +0.008 A ENDBRANCH 10 14 ENDBRANCH 4 8 BRANCH 6 20 ATOM 20 N LIG 1 -2.082 0.045 -0.384 0.00 0.00 -0.311 N ATOM 21 H LIG 1 -1.601 -0.793 -0.692 0.00 0.00 +0.149 HD BRANCH 20 22 ATOM 22 C LIG 1 -3.442 0.047 -0.629 0.00 0.00 +0.199 A ATOM 23 N LIG 1 -3.894 -0.635 -1.777 0.00 0.00 -0.282 N ATOM 24 C LIG 1 -2.958 -1.246 -2.704 0.00 0.00 +0.155 C ATOM 25 C LIG 1 -5.252 -0.739 -2.094 0.00 0.00 +0.279 A ATOM 26 O LIG 1 -5.707 -1.346 -3.059 0.00 0.00 -0.265 OA ATOM 27 C LIG 1 -6.076 -0.054 -1.161 0.00 0.00 +0.130 A ATOM 28 C LIG 1 -5.581 0.611 -0.083 0.00 0.00 +0.097 A ATOM 29 C LIG 1 -6.644 1.179 0.633 0.00 0.00 +0.047 A ATOM 30 C LIG 1 -7.796 0.834 -0.050 0.00 0.00 +0.085 A ATOM 31 N LIG 1 -7.436 0.080 -1.145 0.00 0.00 -0.355 N ATOM 32 H LIG 1 -8.065 -0.315 -1.834 0.00 0.00 +0.166 HD ATOM 33 N LIG 1 -4.229 0.672 0.213 0.00 0.00 -0.214 NA ENDBRANCH 20 22 ENDBRANCH 6 20 TORSDOF 4