REMARK Name = BDB020710 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.364 -0.391 0.225 0.00 0.00 +0.043 A ATOM 2 C LIG 1 -0.982 -0.514 0.790 0.00 0.00 -0.017 A ATOM 3 C LIG 1 -1.302 -1.843 1.428 0.00 0.00 +0.046 C ATOM 4 C LIG 1 -1.822 0.557 0.701 0.00 0.00 +0.044 A ATOM 5 N LIG 1 -1.308 1.764 0.139 0.00 0.00 -0.318 N ATOM 6 C LIG 1 -0.001 1.912 -0.349 0.00 0.00 +0.056 A ATOM 7 C LIG 1 0.173 3.219 -0.784 0.00 0.00 +0.025 A ATOM 8 C LIG 1 -1.062 3.877 -0.590 0.00 0.00 +0.030 A ATOM 9 C LIG 1 -1.935 2.984 -0.016 0.00 0.00 +0.092 A ATOM 10 C LIG 1 0.820 0.751 -0.320 0.00 0.00 +0.040 A ENDROOT BRANCH 7 11 ATOM 11 C LIG 1 1.482 3.864 -1.372 0.00 0.00 +0.070 A ATOM 12 N LIG 1 1.646 5.113 -1.928 0.00 0.00 -0.333 N ATOM 13 C LIG 1 0.647 6.122 -2.173 0.00 0.00 +0.150 C ATOM 14 C LIG 1 2.959 5.250 -2.287 0.00 0.00 +0.199 A ATOM 15 N LIG 1 3.654 4.176 -2.001 0.00 0.00 -0.243 NA ATOM 16 C LIG 1 2.749 3.315 -1.431 0.00 0.00 +0.139 A ENDBRANCH 7 11 BRANCH 1 19 ATOM 17 N LIG 1 2.341 -1.421 1.073 0.00 0.00 -0.307 N ATOM 18 H LIG 1 2.326 -0.667 1.749 0.00 0.00 +0.149 HD ATOM 19 C LIG 1 1.316 -1.536 0.170 0.00 0.00 +0.245 C ATOM 20 O LIG 1 1.167 -2.463 -0.616 0.00 0.00 -0.270 OA BRANCH 17 21 ATOM 21 C LIG 1 3.393 -2.405 1.187 0.00 0.00 +0.145 C BRANCH 21 27 ATOM 22 C LIG 1 7.222 -0.406 1.048 0.00 0.00 +0.195 A ATOM 23 N LIG 1 6.570 -0.652 2.218 0.00 0.00 -0.293 N ATOM 24 H LIG 1 7.005 -0.346 3.077 0.00 0.00 +0.172 HD ATOM 25 C LIG 1 5.350 -1.262 2.322 0.00 0.00 +0.256 A ATOM 26 O LIG 1 4.805 -1.426 3.410 0.00 0.00 -0.267 OA ATOM 27 C LIG 1 4.711 -1.704 1.040 0.00 0.00 +0.037 A ATOM 28 C LIG 1 5.364 -1.465 -0.120 0.00 0.00 -0.036 A ATOM 29 C LIG 1 4.855 -1.829 -1.488 0.00 0.00 +0.044 C ATOM 30 C LIG 1 6.656 -0.789 -0.108 0.00 0.00 +0.069 A BRANCH 22 32 ATOM 31 C LIG 1 9.164 0.569 0.068 0.00 0.00 +0.278 C ATOM 32 O LIG 1 8.417 0.235 1.231 0.00 0.00 -0.481 OA ENDBRANCH 22 32 ENDBRANCH 21 27 ENDBRANCH 17 21 ENDBRANCH 1 19 BRANCH 4 33 ATOM 33 C LIG 1 -3.296 0.547 1.150 0.00 0.00 +0.101 C ATOM 34 C LIG 1 -3.327 0.894 2.651 0.00 0.00 +0.031 C BRANCH 33 35 ATOM 35 N LIG 1 -4.021 -0.700 0.816 0.00 0.00 -0.292 NA ATOM 36 C LIG 1 -5.358 -0.807 1.435 0.00 0.00 +0.100 C ATOM 37 C LIG 1 -6.325 -1.818 0.755 0.00 0.00 +0.100 C ATOM 38 N LIG 1 -5.609 -2.893 0.064 0.00 0.00 -0.292 NA ATOM 39 C LIG 1 -4.704 -2.343 -0.962 0.00 0.00 +0.100 C ATOM 40 C LIG 1 -4.128 -0.937 -0.635 0.00 0.00 +0.100 C BRANCH 38 41 ATOM 41 C LIG 1 -6.489 -3.966 -0.451 0.00 0.00 +0.198 C BRANCH 41 42 ATOM 42 C LIG 1 -7.697 -3.637 -1.353 0.00 0.00 +0.402 C ATOM 43 F LIG 1 -8.316 -4.776 -1.747 0.00 0.00 -0.169 F ATOM 44 F LIG 1 -8.617 -2.888 -0.703 0.00 0.00 -0.169 F ATOM 45 F LIG 1 -7.336 -2.968 -2.469 0.00 0.00 -0.169 F ENDBRANCH 41 42 ENDBRANCH 38 41 ENDBRANCH 33 35 ENDBRANCH 4 33 TORSDOF 9