REMARK Name = BDB024276 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.719 0.980 1.514 0.00 0.00 +0.171 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -2.231 -0.456 1.537 0.00 0.00 -0.022 A ATOM 3 C LIG 1 -2.076 -1.322 0.442 0.00 0.00 +0.005 A ATOM 4 C LIG 1 -2.576 -2.625 0.487 0.00 0.00 +0.000 A ATOM 5 C LIG 1 -3.243 -3.078 1.623 0.00 0.00 +0.000 A ATOM 6 C LIG 1 -3.413 -2.230 2.714 0.00 0.00 +0.000 A ATOM 7 C LIG 1 -2.914 -0.927 2.671 0.00 0.00 +0.005 A ENDBRANCH 1 2 BRANCH 1 8 ATOM 8 C LIG 1 -0.384 1.174 0.727 0.00 0.00 +0.240 C ATOM 9 N LIG 1 0.665 0.485 1.310 0.00 0.00 -0.269 N ATOM 10 H LIG 1 0.482 -0.112 2.106 0.00 0.00 +0.156 HD ATOM 11 O LIG 1 -0.286 1.866 -0.284 0.00 0.00 -0.273 OA BRANCH 9 12 ATOM 12 C LIG 1 1.998 0.429 0.910 0.00 0.00 +0.125 A ATOM 13 N LIG 1 2.748 -0.385 1.682 0.00 0.00 -0.240 NA ATOM 14 C LIG 1 4.064 -0.506 1.370 0.00 0.00 +0.121 A ATOM 15 C LIG 1 4.691 0.153 0.318 0.00 0.00 +0.003 A ATOM 16 C LIG 1 3.888 0.986 -0.460 0.00 0.00 +0.013 A ATOM 17 C LIG 1 2.529 1.128 -0.162 0.00 0.00 +0.044 A BRANCH 15 18 ATOM 18 C LIG 1 6.102 -0.015 0.027 0.00 0.00 +0.021 A ATOM 19 C LIG 1 7.073 -0.362 0.945 0.00 0.00 +0.117 A ATOM 20 N LIG 1 8.255 -0.415 0.259 0.00 0.00 -0.262 N ATOM 21 N LIG 1 8.130 -0.080 -1.037 0.00 0.00 -0.179 NA ATOM 22 C LIG 1 6.822 0.149 -1.180 0.00 0.00 +0.143 A BRANCH 20 23 ATOM 23 C LIG 1 9.566 -0.686 0.802 0.00 0.00 +0.256 C BRANCH 23 24 ATOM 24 C LIG 1 9.771 -2.153 1.053 0.00 0.00 +0.409 C ATOM 25 F LIG 1 8.895 -2.632 1.966 0.00 0.00 -0.169 F ATOM 26 F LIG 1 11.012 -2.366 1.556 0.00 0.00 -0.169 F ATOM 27 F LIG 1 9.661 -2.901 -0.063 0.00 0.00 -0.169 F ENDBRANCH 23 24 ENDBRANCH 20 23 ENDBRANCH 15 18 ENDBRANCH 9 12 ENDBRANCH 1 8 BRANCH 1 28 ATOM 28 N LIG 1 -2.766 1.961 1.145 0.00 0.00 -0.301 NA ATOM 29 H LIG 1 -3.523 1.893 1.821 0.00 0.00 +0.123 HD BRANCH 28 30 ATOM 30 C LIG 1 -3.293 1.819 -0.221 0.00 0.00 +0.089 C BRANCH 30 32 ATOM 31 C LIG 1 -5.769 2.252 0.283 0.00 0.00 +0.014 C ATOM 32 C LIG 1 -4.740 1.262 -0.279 0.00 0.00 +0.030 C BRANCH 32 33 ATOM 33 C LIG 1 -5.104 0.847 -1.699 0.00 0.00 -0.043 A ATOM 34 C LIG 1 -5.180 1.781 -2.743 0.00 0.00 +0.005 A ATOM 35 C LIG 1 -5.508 1.375 -4.040 0.00 0.00 +0.019 A ATOM 36 C LIG 1 -5.763 0.028 -4.310 0.00 0.00 +0.052 A ATOM 37 C LIG 1 -5.687 -0.911 -3.277 0.00 0.00 +0.019 A ATOM 38 C LIG 1 -5.359 -0.504 -1.982 0.00 0.00 +0.005 A BRANCH 36 39 ATOM 39 C LIG 1 -6.099 -0.390 -5.639 0.00 0.00 +0.099 C ATOM 40 N LIG 1 -6.373 -0.730 -6.715 0.00 0.00 -0.191 NA ENDBRANCH 36 39 ENDBRANCH 32 33 ENDBRANCH 30 32 ENDBRANCH 28 30 ENDBRANCH 1 28 TORSDOF 11