REMARK Name = BDB035894 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.992 2.669 -2.589 0.00 0.00 +0.047 C ATOM 2 C LIG 1 2.061 1.303 -1.968 0.00 0.00 -0.007 A ATOM 3 C LIG 1 0.897 0.632 -1.568 0.00 0.00 +0.141 A ATOM 4 C LIG 1 0.981 -0.633 -0.987 0.00 0.00 +0.065 A ATOM 5 C LIG 1 -0.256 -1.321 -0.572 0.00 0.00 +0.200 A ATOM 6 C LIG 1 -1.536 -0.592 -0.798 0.00 0.00 +0.064 A ATOM 7 C LIG 1 -1.451 0.615 -1.377 0.00 0.00 +0.208 A ATOM 8 O LIG 1 -0.209 -2.437 -0.065 0.00 0.00 -0.286 OA ATOM 9 C LIG 1 2.224 -1.247 -0.796 0.00 0.00 +0.020 A ATOM 10 C LIG 1 3.398 -0.592 -1.185 0.00 0.00 -0.032 A ATOM 11 O LIG 1 -0.306 1.263 -1.771 0.00 0.00 -0.462 OA ATOM 12 C LIG 1 3.304 0.682 -1.772 0.00 0.00 +0.012 A ENDROOT BRANCH 6 13 ATOM 13 C LIG 1 -2.848 -1.164 -0.441 0.00 0.00 -0.011 A ATOM 14 C LIG 1 -3.780 -0.423 0.309 0.00 0.00 +0.015 A ATOM 15 C LIG 1 -5.051 -0.928 0.670 0.00 0.00 -0.008 A ATOM 16 C LIG 1 -5.341 -2.239 0.237 0.00 0.00 +0.007 A ATOM 17 C LIG 1 -4.430 -2.994 -0.503 0.00 0.00 +0.001 A ATOM 18 C LIG 1 -3.190 -2.459 -0.839 0.00 0.00 +0.009 A BRANCH 15 19 ATOM 19 C LIG 1 -6.097 -0.075 1.536 0.00 0.00 +0.155 C ATOM 20 O LIG 1 -5.558 1.207 2.011 0.00 0.00 -0.361 OA ATOM 21 C LIG 1 -6.002 0.921 3.357 0.00 0.00 +0.165 C ATOM 22 C LIG 1 -6.307 -0.526 3.004 0.00 0.00 +0.076 C BRANCH 19 23 ATOM 23 C LIG 1 -7.455 0.082 0.741 0.00 0.00 +0.170 A ATOM 24 N LIG 1 -7.747 1.036 -0.192 0.00 0.00 -0.318 N ATOM 25 C LIG 1 -6.895 2.099 -0.648 0.00 0.00 +0.151 C ATOM 26 C LIG 1 -9.015 0.777 -0.610 0.00 0.00 +0.224 A ATOM 27 N LIG 1 -9.480 -0.274 0.026 0.00 0.00 -0.138 NA ATOM 28 N LIG 1 -8.495 -0.716 0.878 0.00 0.00 -0.131 NA ENDBRANCH 19 23 ENDBRANCH 15 19 ENDBRANCH 6 13 BRANCH 10 29 ATOM 29 C LIG 1 4.750 -1.246 -0.985 0.00 0.00 +0.119 C BRANCH 29 30 ATOM 30 N LIG 1 5.645 -0.463 -0.121 0.00 0.00 -0.298 NA ATOM 31 C LIG 1 7.013 -0.983 -0.155 0.00 0.00 +0.088 C ATOM 32 C LIG 1 7.985 0.019 0.504 0.00 0.00 +0.000 C ATOM 33 C LIG 1 8.457 1.084 -0.489 0.00 0.00 +0.009 C ATOM 34 C LIG 1 7.371 0.694 1.746 0.00 0.00 +0.006 C ATOM 35 C LIG 1 6.234 -0.143 2.314 0.00 0.00 +0.016 C ATOM 36 C LIG 1 5.139 -0.378 1.263 0.00 0.00 +0.085 C ENDBRANCH 29 30 ENDBRANCH 10 29 TORSDOF 5