REMARK Name = BDB011566 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.708 0.565 0.741 0.00 0.00 +0.241 C ATOM 2 N LIG 1 -0.763 1.101 1.593 0.00 0.00 -0.257 N ATOM 3 C LIG 1 -0.640 2.582 1.655 0.00 0.00 +0.172 C ATOM 4 C LIG 1 0.253 2.917 2.856 0.00 0.00 +0.069 C ATOM 5 C LIG 1 0.690 1.560 3.309 0.00 0.00 -0.024 A ATOM 6 C LIG 1 1.570 1.299 4.352 0.00 0.00 +0.005 A ATOM 7 C LIG 1 1.830 -0.026 4.683 0.00 0.00 +0.000 A ATOM 8 C LIG 1 1.201 -1.059 3.980 0.00 0.00 +0.002 A ATOM 9 C LIG 1 0.312 -0.781 2.933 0.00 0.00 +0.024 A ATOM 10 C LIG 1 0.063 0.536 2.587 0.00 0.00 +0.040 A ATOM 11 O LIG 1 -2.412 1.325 0.052 0.00 0.00 -0.273 OA ENDROOT BRANCH 3 12 ATOM 12 C LIG 1 -0.013 3.192 0.384 0.00 0.00 +0.238 C ATOM 13 N LIG 1 0.930 2.387 -0.228 0.00 0.00 -0.283 N ATOM 14 H LIG 1 1.130 1.490 0.223 0.00 0.00 +0.155 HD ATOM 15 O LIG 1 -0.240 4.364 0.086 0.00 0.00 -0.273 OA BRANCH 13 16 ATOM 16 C LIG 1 1.643 2.628 -1.426 0.00 0.00 +0.044 A ATOM 17 C LIG 1 2.708 1.771 -1.779 0.00 0.00 +0.043 A ATOM 18 C LIG 1 3.381 1.939 -3.000 0.00 0.00 +0.013 A ATOM 19 C LIG 1 3.029 2.981 -3.855 0.00 0.00 +0.001 A ATOM 20 C LIG 1 2.002 3.850 -3.499 0.00 0.00 +0.002 A ATOM 21 C LIG 1 1.312 3.673 -2.295 0.00 0.00 +0.024 A BRANCH 17 22 ATOM 22 C LIG 1 3.131 0.682 -0.857 0.00 0.00 +0.195 C ATOM 23 O LIG 1 2.278 0.078 -0.210 0.00 0.00 -0.287 OA BRANCH 22 24 ATOM 24 C LIG 1 4.562 0.336 -0.662 0.00 0.00 +0.022 A ATOM 25 C LIG 1 5.563 1.314 -0.692 0.00 0.00 +0.012 A ATOM 26 C LIG 1 6.896 0.952 -0.483 0.00 0.00 +0.001 A ATOM 27 C LIG 1 7.227 -0.379 -0.232 0.00 0.00 +0.000 A ATOM 28 C LIG 1 6.229 -1.352 -0.179 0.00 0.00 +0.001 A ATOM 29 C LIG 1 4.896 -0.996 -0.389 0.00 0.00 +0.012 A ENDBRANCH 22 24 ENDBRANCH 17 22 ENDBRANCH 13 16 ENDBRANCH 3 12 BRANCH 1 30 ATOM 30 C LIG 1 -1.896 -0.956 0.570 0.00 0.00 +0.162 C BRANCH 30 32 ATOM 31 C LIG 1 -4.082 -2.142 0.320 0.00 0.00 +0.230 C ATOM 32 N LIG 1 -3.208 -1.150 -0.057 0.00 0.00 -0.302 N ATOM 33 H LIG 1 -3.526 -0.395 -0.659 0.00 0.00 +0.150 HD ATOM 34 O LIG 1 -3.814 -2.974 1.186 0.00 0.00 -0.274 OA BRANCH 31 35 ATOM 35 C LIG 1 -5.449 -2.094 -0.401 0.00 0.00 +0.137 C ATOM 36 C LIG 1 -6.414 -1.312 0.489 0.00 0.00 +0.034 C BRANCH 35 38 ATOM 37 C LIG 1 -7.173 -3.589 -1.305 0.00 0.00 +0.101 C ATOM 38 N LIG 1 -5.864 -3.479 -0.690 0.00 0.00 -0.309 NA ATOM 39 H LIG 1 -5.823 -4.019 0.178 0.00 0.00 +0.122 HD ENDBRANCH 35 38 ENDBRANCH 31 35 ENDBRANCH 30 32 BRANCH 30 40 ATOM 40 C LIG 1 -0.763 -1.579 -0.280 0.00 0.00 +0.012 C ATOM 41 C LIG 1 -0.737 -1.069 -1.725 0.00 0.00 +0.009 C ATOM 42 C LIG 1 -0.826 -3.108 -0.273 0.00 0.00 +0.009 C ENDBRANCH 30 40 ENDBRANCH 1 30 TORSDOF 9