REMARK Name = BDB011986 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.031 1.508 -0.922 0.00 0.00 +0.177 C ATOM 2 C LIG 1 -1.483 1.506 -0.872 0.00 0.00 +0.242 C ATOM 3 O LIG 1 -2.071 2.526 -0.480 0.00 0.00 -0.273 OA ATOM 4 N LIG 1 -2.170 0.355 -1.250 0.00 0.00 -0.264 N ATOM 5 C LIG 1 -1.590 -0.757 -1.991 0.00 0.00 +0.058 A ATOM 6 C LIG 1 -0.274 -1.298 -1.854 0.00 0.00 +0.058 A ATOM 7 C LIG 1 0.035 -2.465 -2.602 0.00 0.00 +0.025 A ATOM 8 C LIG 1 -0.841 -3.044 -3.519 0.00 0.00 +0.002 A ATOM 9 C LIG 1 -2.074 -2.471 -3.718 0.00 0.00 +0.002 A ATOM 10 N LIG 1 0.760 -0.823 -0.954 0.00 0.00 -0.263 N ATOM 11 C LIG 1 2.124 -1.136 -1.163 0.00 0.00 +0.251 C ATOM 12 O LIG 1 2.631 -1.458 -2.236 0.00 0.00 -0.270 OA ATOM 13 C LIG 1 -2.431 -1.354 -2.965 0.00 0.00 +0.025 A ATOM 14 C LIG 1 0.466 0.309 -0.091 0.00 0.00 +0.145 C ENDROOT BRANCH 11 15 ATOM 15 C LIG 1 3.024 -1.121 0.020 0.00 0.00 +0.037 A ATOM 16 C LIG 1 4.283 -0.527 -0.086 0.00 0.00 +0.014 A ATOM 17 C LIG 1 5.143 -0.519 1.015 0.00 0.00 +0.012 A ATOM 18 C LIG 1 4.757 -1.117 2.224 0.00 0.00 +0.017 A ATOM 19 C LIG 1 3.503 -1.737 2.316 0.00 0.00 +0.012 A ATOM 20 C LIG 1 2.639 -1.742 1.216 0.00 0.00 +0.014 A BRANCH 18 21 ATOM 21 C LIG 1 5.710 -1.080 3.373 0.00 0.00 +0.160 C ATOM 22 O LIG 1 6.850 -0.647 3.213 0.00 0.00 -0.292 OA ATOM 23 C LIG 1 5.254 -1.589 4.717 0.00 0.00 +0.091 C ENDBRANCH 18 21 ENDBRANCH 11 15 BRANCH 1 25 ATOM 24 C LIG 1 1.816 3.165 -0.420 0.00 0.00 +0.230 C ATOM 25 N LIG 1 0.492 2.781 -0.355 0.00 0.00 -0.301 N ATOM 26 H LIG 1 -0.228 3.458 -0.118 0.00 0.00 +0.150 HD ATOM 27 O LIG 1 2.670 2.421 -0.896 0.00 0.00 -0.274 OA BRANCH 24 28 ATOM 28 C LIG 1 2.073 4.596 0.111 0.00 0.00 +0.137 C ATOM 29 C LIG 1 1.802 5.621 -0.989 0.00 0.00 +0.034 C BRANCH 28 31 ATOM 30 C LIG 1 4.545 4.679 -0.097 0.00 0.00 +0.101 C ATOM 31 N LIG 1 3.382 4.748 0.785 0.00 0.00 -0.309 NA ATOM 32 H LIG 1 3.400 5.649 1.259 0.00 0.00 +0.122 HD ENDBRANCH 28 31 ENDBRANCH 24 28 ENDBRANCH 1 25 BRANCH 4 33 ATOM 33 C LIG 1 -3.645 0.426 -1.048 0.00 0.00 +0.149 C BRANCH 33 34 ATOM 34 C LIG 1 -4.323 -0.830 -0.491 0.00 0.00 -0.019 A ATOM 35 C LIG 1 -3.848 -1.448 0.713 0.00 0.00 -0.013 A ATOM 36 C LIG 1 -4.396 -2.694 1.112 0.00 0.00 -0.018 A ATOM 37 C LIG 1 -3.921 -3.350 2.261 0.00 0.00 +0.008 A ATOM 38 C LIG 1 -2.930 -2.780 3.056 0.00 0.00 +0.001 A ATOM 39 C LIG 1 -2.416 -1.537 2.719 0.00 0.00 +0.001 A ATOM 40 C LIG 1 -5.429 -3.270 0.371 0.00 0.00 +0.009 A ATOM 41 C LIG 1 -5.968 -2.610 -0.728 0.00 0.00 +0.004 A ATOM 42 C LIG 1 -2.875 -0.883 1.571 0.00 0.00 +0.009 A ATOM 43 C LIG 1 -5.457 -1.376 -1.149 0.00 0.00 -0.045 A ATOM 44 C LIG 1 -6.154 -0.694 -2.297 0.00 0.00 +0.044 C ENDBRANCH 33 34 ENDBRANCH 4 33 TORSDOF 7