REMARK Name = BDB027235 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.641 0.569 1.211 0.00 0.00 -0.003 A ATOM 2 C LIG 1 -0.456 1.056 0.641 0.00 0.00 +0.053 A ATOM 3 C LIG 1 -0.560 2.264 -0.053 0.00 0.00 +0.134 A ATOM 4 N LIG 1 -1.701 2.972 -0.236 0.00 0.00 -0.253 NA ATOM 5 C LIG 1 -2.840 2.478 0.301 0.00 0.00 +0.071 A ATOM 6 C LIG 1 -2.838 1.286 1.023 0.00 0.00 +0.035 A ENDROOT BRANCH 5 7 ATOM 7 C LIG 1 -4.060 3.279 0.060 0.00 0.00 +0.003 A ATOM 8 C LIG 1 -5.136 3.298 0.967 0.00 0.00 +0.051 A ATOM 9 C LIG 1 -6.273 4.064 0.711 0.00 0.00 +0.159 A ATOM 10 F LIG 1 -7.278 4.058 1.598 0.00 0.00 -0.202 F ATOM 11 C LIG 1 -6.366 4.828 -0.443 0.00 0.00 +0.158 A ATOM 12 F LIG 1 -7.462 5.561 -0.683 0.00 0.00 -0.202 F ATOM 13 C LIG 1 -5.322 4.839 -1.356 0.00 0.00 +0.042 A ATOM 14 C LIG 1 -4.180 4.072 -1.102 0.00 0.00 +0.013 A ENDBRANCH 5 7 BRANCH 2 15 ATOM 15 N LIG 1 0.748 0.358 0.802 0.00 0.00 -0.327 N ATOM 16 C LIG 1 1.489 0.062 -0.449 0.00 0.00 +0.127 C ATOM 17 C LIG 1 2.954 -0.411 -0.177 0.00 0.00 +0.038 C ATOM 18 C LIG 1 3.699 0.732 0.557 0.00 0.00 +0.025 C ATOM 19 C LIG 1 2.807 1.558 1.492 0.00 0.00 +0.021 C ATOM 20 C LIG 1 1.556 0.818 1.949 0.00 0.00 +0.105 C BRANCH 17 21 ATOM 21 N LIG 1 2.959 -1.615 0.698 0.00 0.00 -0.323 NA ATOM 22 H LIG 1 2.429 -2.356 0.237 0.00 0.00 +0.119 HD ATOM 23 H LIG 1 3.922 -1.983 0.699 0.00 0.00 +0.119 HD ENDBRANCH 17 21 BRANCH 17 24 ATOM 24 C LIG 1 3.627 -0.734 -1.545 0.00 0.00 +0.078 C BRANCH 24 25 ATOM 25 C LIG 1 5.098 -1.081 -1.477 0.00 0.00 +0.043 A ATOM 26 N LIG 1 5.444 -2.166 -0.739 0.00 0.00 -0.260 NA ATOM 27 C LIG 1 6.755 -2.492 -0.685 0.00 0.00 +0.111 A ATOM 28 C LIG 1 7.750 -1.786 -1.337 0.00 0.00 +0.020 A ATOM 29 C LIG 1 7.381 -0.681 -2.093 0.00 0.00 +0.003 A ATOM 30 C LIG 1 6.038 -0.322 -2.169 0.00 0.00 +0.023 A ENDBRANCH 24 25 ENDBRANCH 17 24 ENDBRANCH 2 15 BRANCH 1 31 ATOM 31 C LIG 1 -1.679 -0.728 1.983 0.00 0.00 +0.161 C BRANCH 31 36 ATOM 32 C LIG 1 -3.550 -4.162 -0.873 0.00 0.00 +0.147 A ATOM 33 C LIG 1 -2.546 -3.471 -0.174 0.00 0.00 +0.147 A ATOM 34 N LIG 1 -1.186 -3.680 -0.049 0.00 0.00 -0.231 NA ATOM 35 C LIG 1 -0.774 -2.713 0.745 0.00 0.00 +0.202 A ATOM 36 N LIG 1 -1.794 -1.873 1.104 0.00 0.00 -0.310 N ATOM 37 C LIG 1 -2.944 -2.352 0.540 0.00 0.00 +0.166 A ATOM 38 N LIG 1 -4.188 -1.854 0.645 0.00 0.00 -0.216 NA ATOM 39 C LIG 1 -5.059 -2.590 -0.075 0.00 0.00 +0.225 A ATOM 40 N LIG 1 -4.816 -3.689 -0.823 0.00 0.00 -0.219 NA BRANCH 32 41 ATOM 41 N LIG 1 -3.304 -5.300 -1.632 0.00 0.00 -0.341 N ATOM 42 H LIG 1 -2.332 -5.398 -1.901 0.00 0.00 +0.144 HD ATOM 43 H LIG 1 -4.010 -5.443 -2.341 0.00 0.00 +0.144 HD ENDBRANCH 32 41 ENDBRANCH 31 36 ENDBRANCH 1 31 TORSDOF 8