REMARK Name = BDB027470 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.320 -0.773 -0.453 0.00 0.00 +0.053 A ATOM 2 C LIG 1 0.745 -0.129 -1.101 0.00 0.00 -0.003 A ATOM 3 C LIG 1 2.057 -0.614 -0.920 0.00 0.00 +0.035 A ATOM 4 C LIG 1 2.299 -1.710 -0.097 0.00 0.00 +0.071 A ATOM 5 N LIG 1 1.284 -2.345 0.531 0.00 0.00 -0.253 NA ATOM 6 C LIG 1 0.030 -1.864 0.347 0.00 0.00 +0.134 A ENDROOT BRANCH 4 7 ATOM 7 C LIG 1 3.650 -2.252 0.155 0.00 0.00 +0.003 A ATOM 8 C LIG 1 4.797 -1.435 0.145 0.00 0.00 +0.051 A ATOM 9 C LIG 1 6.060 -1.975 0.385 0.00 0.00 +0.159 A ATOM 10 F LIG 1 7.129 -1.168 0.364 0.00 0.00 -0.202 F ATOM 11 C LIG 1 6.213 -3.329 0.643 0.00 0.00 +0.158 A ATOM 12 F LIG 1 7.429 -3.842 0.871 0.00 0.00 -0.202 F ATOM 13 C LIG 1 5.104 -4.162 0.670 0.00 0.00 +0.042 A ATOM 14 C LIG 1 3.834 -3.625 0.430 0.00 0.00 +0.013 A ENDBRANCH 4 7 BRANCH 1 17 ATOM 15 C LIG 1 -3.812 -0.895 0.638 0.00 0.00 +0.059 C ATOM 16 C LIG 1 -2.460 -0.089 0.586 0.00 0.00 +0.131 C ATOM 17 N LIG 1 -1.637 -0.344 -0.626 0.00 0.00 -0.326 N ATOM 18 C LIG 1 -2.307 -0.882 -1.817 0.00 0.00 +0.105 C ATOM 19 C LIG 1 -3.713 -0.311 -1.909 0.00 0.00 +0.021 C ATOM 20 C LIG 1 -4.583 -0.641 -0.692 0.00 0.00 +0.029 C BRANCH 15 22 ATOM 21 C LIG 1 -6.021 -1.379 1.922 0.00 0.00 +0.046 C ATOM 22 C LIG 1 -4.742 -0.570 1.822 0.00 0.00 +0.013 C ATOM 23 C LIG 1 -4.511 0.373 2.752 0.00 0.00 +0.271 C ATOM 24 F LIG 1 -5.402 0.577 3.746 0.00 0.00 -0.173 F ATOM 25 F LIG 1 -3.397 1.131 2.729 0.00 0.00 -0.173 F ENDBRANCH 15 22 BRANCH 15 26 ATOM 26 N LIG 1 -3.520 -2.347 0.735 0.00 0.00 -0.320 NA ATOM 27 H LIG 1 -2.841 -2.609 0.025 0.00 0.00 +0.119 HD ATOM 28 H LIG 1 -3.059 -2.531 1.627 0.00 0.00 +0.119 HD ENDBRANCH 15 26 ENDBRANCH 1 17 BRANCH 2 29 ATOM 29 C LIG 1 0.556 1.123 -1.924 0.00 0.00 +0.161 C BRANCH 29 30 ATOM 30 N LIG 1 0.820 2.313 -1.137 0.00 0.00 -0.310 N ATOM 31 C LIG 1 2.016 2.968 -1.034 0.00 0.00 +0.166 A ATOM 32 C LIG 1 1.751 4.059 -0.221 0.00 0.00 +0.147 A ATOM 33 C LIG 1 2.829 4.916 0.055 0.00 0.00 +0.147 A ATOM 34 N LIG 1 4.041 4.618 -0.466 0.00 0.00 -0.219 NA ATOM 35 C LIG 1 4.151 3.523 -1.249 0.00 0.00 +0.225 A ATOM 36 N LIG 1 0.426 4.071 0.171 0.00 0.00 -0.231 NA ATOM 37 N LIG 1 3.194 2.634 -1.590 0.00 0.00 -0.216 NA ATOM 38 C LIG 1 -0.102 3.011 -0.404 0.00 0.00 +0.202 A BRANCH 33 39 ATOM 39 N LIG 1 2.717 6.047 0.853 0.00 0.00 -0.341 N ATOM 40 H LIG 1 3.607 6.323 1.248 0.00 0.00 +0.144 HD ATOM 41 H LIG 1 1.914 6.023 1.471 0.00 0.00 +0.144 HD ENDBRANCH 33 39 ENDBRANCH 29 30 ENDBRANCH 2 29 TORSDOF 7