REMARK Name = BDB003298 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.168 3.315 1.618 0.00 0.00 +0.128 A ATOM 2 N LIG 1 -1.198 2.462 2.012 0.00 0.00 -0.226 NA ATOM 3 C LIG 1 -1.198 1.212 1.494 0.00 0.00 +0.134 A ATOM 4 C LIG 1 -2.203 0.763 0.591 0.00 0.00 +0.023 A ATOM 5 C LIG 1 -3.198 1.685 0.205 0.00 0.00 -0.012 A ATOM 6 C LIG 1 -4.208 1.292 -0.686 0.00 0.00 +0.009 A ATOM 7 C LIG 1 -4.247 -0.008 -1.196 0.00 0.00 +0.009 A ATOM 8 C LIG 1 -3.282 -0.950 -0.828 0.00 0.00 -0.021 A ATOM 9 C LIG 1 -2.280 -0.554 0.069 0.00 0.00 +0.020 A ATOM 10 C LIG 1 -3.174 2.980 0.725 0.00 0.00 +0.041 A ENDROOT BRANCH 3 11 ATOM 11 N LIG 1 -0.155 0.330 1.888 0.00 0.00 -0.284 N ATOM 12 C LIG 1 1.000 0.032 1.112 0.00 0.00 +0.039 A ATOM 13 C LIG 1 2.096 -0.649 1.679 0.00 0.00 -0.025 A ATOM 14 C LIG 1 3.217 -0.969 0.892 0.00 0.00 +0.014 A ATOM 15 C LIG 1 3.276 -0.632 -0.466 0.00 0.00 -0.006 A ATOM 16 C LIG 1 2.203 0.058 -1.048 0.00 0.00 +0.027 A ATOM 17 C LIG 1 2.132 -0.999 3.145 0.00 0.00 +0.038 C ATOM 18 C LIG 1 0.772 -0.856 3.807 0.00 0.00 +0.024 C ATOM 19 C LIG 1 1.081 0.370 -0.252 0.00 0.00 +0.033 A ATOM 20 C LIG 1 0.107 0.429 3.333 0.00 0.00 +0.113 C BRANCH 15 21 ATOM 21 C LIG 1 4.456 -1.000 -1.222 0.00 0.00 +0.020 A ATOM 22 C LIG 1 5.733 -0.573 -0.925 0.00 0.00 +0.116 A ATOM 23 N LIG 1 6.547 -1.135 -1.866 0.00 0.00 -0.274 N ATOM 24 C LIG 1 7.977 -0.987 -1.978 0.00 0.00 +0.172 C ATOM 25 N LIG 1 5.888 -1.893 -2.760 0.00 0.00 -0.179 NA ATOM 26 C LIG 1 4.615 -1.821 -2.360 0.00 0.00 +0.142 A ENDBRANCH 15 21 BRANCH 16 27 ATOM 27 C LIG 1 2.207 0.470 -2.498 0.00 0.00 +0.372 C ATOM 28 F LIG 1 1.251 1.400 -2.798 0.00 0.00 -0.204 F ATOM 29 F LIG 1 1.965 -0.576 -3.337 0.00 0.00 -0.204 F ENDBRANCH 16 27 ENDBRANCH 3 11 BRANCH 8 30 ATOM 30 C LIG 1 -3.331 -2.334 -1.341 0.00 0.00 -0.040 C ATOM 31 C LIG 1 -3.037 -3.469 -0.389 0.00 0.00 +0.063 C ATOM 32 C LIG 1 -3.559 -4.793 -0.946 0.00 0.00 +0.165 C ATOM 33 O LIG 1 -3.091 -4.976 -2.282 0.00 0.00 -0.375 OA ATOM 34 C LIG 1 -3.646 -4.010 -3.178 0.00 0.00 +0.187 C ATOM 35 C LIG 1 -3.612 -2.612 -2.629 0.00 0.00 +0.005 C ENDBRANCH 8 30 BRANCH 1 39 ATOM 36 C LIG 1 -2.200 7.096 1.764 0.00 0.00 +0.128 C ATOM 37 N LIG 1 -2.370 5.732 1.332 0.00 0.00 -0.313 N ATOM 38 H LIG 1 -2.306 5.543 0.340 0.00 0.00 +0.149 HD ATOM 39 C LIG 1 -2.113 4.689 2.211 0.00 0.00 +0.262 C ATOM 40 O LIG 1 -1.842 4.859 3.394 0.00 0.00 -0.269 OA ENDBRANCH 1 39 TORSDOF 5