REMARK Name = BDB027151 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.059 -0.612 -2.457 0.00 0.00 +0.156 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -0.632 -0.619 -3.921 0.00 0.00 -0.023 A ATOM 3 C LIG 1 -0.994 0.453 -4.754 0.00 0.00 +0.005 A ATOM 4 C LIG 1 -0.621 0.468 -6.099 0.00 0.00 +0.000 A ATOM 5 C LIG 1 0.107 -0.592 -6.633 0.00 0.00 +0.000 A ATOM 6 C LIG 1 0.455 -1.672 -5.826 0.00 0.00 +0.000 A ATOM 7 C LIG 1 0.083 -1.691 -4.481 0.00 0.00 +0.005 A ENDBRANCH 1 2 BRANCH 1 8 ATOM 8 C LIG 1 0.059 -1.155 -1.522 0.00 0.00 +0.186 C ATOM 9 O LIG 1 0.035 -2.327 -1.132 0.00 0.00 -0.290 OA BRANCH 8 14 ATOM 10 C LIG 1 4.372 -0.368 1.635 0.00 0.00 +0.006 A ATOM 11 C LIG 1 4.077 0.724 0.800 0.00 0.00 +0.036 A ATOM 12 C LIG 1 2.974 0.628 -0.064 0.00 0.00 +0.048 A ATOM 13 C LIG 1 2.160 -0.502 -0.133 0.00 0.00 +0.010 A ATOM 14 C LIG 1 1.139 -0.246 -1.112 0.00 0.00 +0.044 A ATOM 15 C LIG 1 1.377 1.029 -1.597 0.00 0.00 +0.095 A ATOM 16 C LIG 1 2.466 -1.590 0.708 0.00 0.00 +0.011 A ATOM 17 N LIG 1 2.481 1.538 -0.967 0.00 0.00 -0.360 N ATOM 18 H LIG 1 2.883 2.450 -1.140 0.00 0.00 +0.165 HD ATOM 19 C LIG 1 3.562 -1.509 1.580 0.00 0.00 +0.011 A BRANCH 10 24 ATOM 20 C LIG 1 8.479 0.771 4.179 0.00 0.00 +0.174 C ATOM 21 N LIG 1 7.284 0.169 3.655 0.00 0.00 -0.254 N ATOM 22 N LIG 1 6.833 -0.985 4.169 0.00 0.00 -0.065 NA ATOM 23 N LIG 1 5.734 -1.310 3.501 0.00 0.00 -0.130 NA ATOM 24 C LIG 1 5.496 -0.339 2.558 0.00 0.00 +0.113 A ATOM 25 C LIG 1 6.485 0.617 2.647 0.00 0.00 +0.138 A ENDBRANCH 10 24 ENDBRANCH 8 14 ENDBRANCH 1 8 BRANCH 1 26 ATOM 26 N LIG 1 -2.313 -1.399 -2.316 0.00 0.00 -0.303 NA ATOM 27 H LIG 1 -2.040 -2.384 -2.392 0.00 0.00 +0.123 HD BRANCH 26 28 ATOM 28 C LIG 1 -2.982 -1.216 -1.021 0.00 0.00 +0.086 C BRANCH 28 29 ATOM 29 C LIG 1 -3.709 0.131 -0.897 0.00 0.00 +0.050 C BRANCH 29 30 ATOM 30 C LIG 1 -4.448 0.245 0.416 0.00 0.00 -0.046 A ATOM 31 C LIG 1 -5.821 -0.020 0.483 0.00 0.00 +0.004 A ATOM 32 C LIG 1 -6.500 0.072 1.701 0.00 0.00 +0.013 A ATOM 33 C LIG 1 -5.811 0.418 2.869 0.00 0.00 +0.037 A ATOM 34 C LIG 1 -4.440 0.693 2.806 0.00 0.00 +0.013 A ATOM 35 C LIG 1 -3.763 0.603 1.586 0.00 0.00 +0.004 A BRANCH 33 36 ATOM 36 C LIG 1 -6.576 0.501 4.141 0.00 0.00 +0.242 C ATOM 37 O LIG 1 -7.790 0.657 4.155 0.00 0.00 -0.270 OA ATOM 38 N LIG 1 -5.877 0.354 5.308 0.00 0.00 -0.325 N ATOM 39 H LIG 1 -6.439 0.275 6.145 0.00 0.00 +0.145 HD ATOM 40 H LIG 1 -4.961 -0.070 5.327 0.00 0.00 +0.145 HD ENDBRANCH 33 36 ENDBRANCH 29 30 ENDBRANCH 28 29 ENDBRANCH 26 28 ENDBRANCH 1 26 TORSDOF 9