REMARK Name = BDB051785 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.505 -0.380 -0.938 0.00 0.00 +0.249 C ATOM 2 N LIG 1 0.213 0.073 -0.699 0.00 0.00 -0.294 N ATOM 3 C LIG 1 -0.162 1.100 0.280 0.00 0.00 +0.127 C ATOM 4 C LIG 1 -1.529 0.830 0.927 0.00 0.00 +0.127 C ATOM 5 N LIG 1 -2.615 0.570 -0.035 0.00 0.00 -0.297 N ATOM 6 C LIG 1 -3.915 0.728 0.429 0.00 0.00 +0.239 C ATOM 7 O LIG 1 -4.082 1.152 1.585 0.00 0.00 -0.273 OA ATOM 8 C LIG 1 -2.175 0.236 -1.395 0.00 0.00 +0.127 C ATOM 9 C LIG 1 -0.884 -0.592 -1.402 0.00 0.00 +0.127 C ATOM 10 O LIG 1 1.749 -1.377 -1.616 0.00 0.00 -0.270 OA ENDROOT BRANCH 1 13 ATOM 11 C LIG 1 4.703 0.202 0.966 0.00 0.00 -0.041 A ATOM 12 C LIG 1 3.567 -0.418 0.422 0.00 0.00 +0.020 A ATOM 13 C LIG 1 2.652 0.323 -0.337 0.00 0.00 +0.072 A ATOM 14 C LIG 1 2.881 1.675 -0.576 0.00 0.00 +0.135 A ATOM 15 F LIG 1 2.045 2.393 -1.339 0.00 0.00 -0.205 F ATOM 16 C LIG 1 3.991 2.307 -0.025 0.00 0.00 +0.039 A ATOM 17 C LIG 1 4.894 1.576 0.750 0.00 0.00 +0.007 A BRANCH 11 18 ATOM 18 C LIG 1 5.686 -0.597 1.792 0.00 0.00 +0.092 C BRANCH 18 28 ATOM 19 C LIG 1 6.606 -2.128 -0.611 0.00 0.00 +0.046 C ATOM 20 C LIG 1 7.576 -1.213 0.075 0.00 0.00 -0.019 A ATOM 21 C LIG 1 8.848 -1.004 -0.320 0.00 0.00 +0.020 A ATOM 22 C LIG 1 9.510 -1.584 -1.537 0.00 0.00 +0.050 C ATOM 23 C LIG 1 9.733 -0.111 0.482 0.00 0.00 +0.268 A ATOM 24 O LIG 1 10.902 0.093 0.169 0.00 0.00 -0.266 OA ATOM 25 N LIG 1 9.175 0.463 1.589 0.00 0.00 -0.243 N ATOM 26 H LIG 1 9.769 1.071 2.142 0.00 0.00 +0.192 HD ATOM 27 N LIG 1 7.896 0.309 2.007 0.00 0.00 -0.175 NA ATOM 28 C LIG 1 7.130 -0.473 1.307 0.00 0.00 +0.069 A ENDBRANCH 18 28 ENDBRANCH 11 18 ENDBRANCH 1 13 BRANCH 6 29 ATOM 29 C LIG 1 -5.191 0.452 -0.457 0.00 0.00 +0.109 C ATOM 30 C LIG 1 -5.260 1.496 -1.600 0.00 0.00 +0.035 C ATOM 31 C LIG 1 -6.064 0.809 -2.694 0.00 0.00 +0.003 C ATOM 32 C LIG 1 -5.551 -0.618 -2.663 0.00 0.00 +0.003 C ATOM 33 C LIG 1 -5.285 -0.914 -1.183 0.00 0.00 +0.035 C BRANCH 29 34 ATOM 34 N LIG 1 -6.426 0.691 0.367 0.00 0.00 -0.330 N ATOM 35 H LIG 1 -6.226 1.502 0.966 0.00 0.00 +0.147 HD BRANCH 34 36 ATOM 36 C LIG 1 -6.958 -0.273 1.238 0.00 0.00 +0.028 A ATOM 37 C LIG 1 -8.317 -0.162 1.561 0.00 0.00 +0.023 A ATOM 38 C LIG 1 -8.922 -1.029 2.475 0.00 0.00 +0.002 A ATOM 39 C LIG 1 -8.163 -2.009 3.106 0.00 0.00 +0.000 A ATOM 40 C LIG 1 -6.802 -2.109 2.829 0.00 0.00 +0.002 A ATOM 41 C LIG 1 -6.204 -1.238 1.912 0.00 0.00 +0.023 A ENDBRANCH 34 36 ENDBRANCH 29 34 ENDBRANCH 6 29 TORSDOF 6