REMARK Name = BDB042040 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.294 -1.838 0.655 0.00 0.00 +0.122 C ENDROOT BRANCH 1 8 ATOM 2 N LIG 1 5.926 -0.243 -0.969 0.00 0.00 -0.282 N ATOM 3 C LIG 1 5.125 -0.468 -2.081 0.00 0.00 +0.248 C ATOM 4 O LIG 1 5.428 -0.370 -3.254 0.00 0.00 -0.270 OA ATOM 5 C LIG 1 3.804 -0.859 -1.580 0.00 0.00 +0.044 A ATOM 6 C LIG 1 2.677 -1.236 -2.284 0.00 0.00 +0.014 A ATOM 7 C LIG 1 1.535 -1.556 -1.544 0.00 0.00 +0.008 A ATOM 8 C LIG 1 1.538 -1.486 -0.128 0.00 0.00 +0.002 A ATOM 9 C LIG 1 2.709 -1.098 0.537 0.00 0.00 +0.133 A ATOM 10 F LIG 1 2.745 -1.025 1.874 0.00 0.00 -0.205 F ATOM 11 C LIG 1 3.836 -0.785 -0.192 0.00 0.00 +0.017 A ATOM 12 C LIG 1 5.171 -0.330 0.277 0.00 0.00 +0.147 C BRANCH 2 19 ATOM 13 O LIG 1 10.386 2.695 0.255 0.00 0.00 -0.275 OA ATOM 14 C LIG 1 9.488 2.006 -0.220 0.00 0.00 +0.219 C ATOM 15 N LIG 1 8.333 2.576 -0.691 0.00 0.00 -0.255 N ATOM 16 H LIG 1 8.260 3.573 -0.532 0.00 0.00 +0.158 HD ATOM 17 C LIG 1 7.129 1.931 -0.861 0.00 0.00 +0.240 C ATOM 18 O LIG 1 6.076 2.563 -0.825 0.00 0.00 -0.273 OA ATOM 19 C LIG 1 7.225 0.410 -1.077 0.00 0.00 +0.163 C ATOM 20 C LIG 1 8.251 -0.165 -0.105 0.00 0.00 +0.041 C ATOM 21 C LIG 1 9.597 0.504 -0.338 0.00 0.00 +0.098 C ENDBRANCH 2 19 ENDBRANCH 1 8 BRANCH 1 22 ATOM 22 N LIG 1 -0.870 -1.033 0.278 0.00 0.00 -0.292 NA ATOM 23 C LIG 1 -0.762 0.416 0.583 0.00 0.00 +0.071 C ATOM 24 C LIG 1 -2.009 1.099 -0.062 0.00 0.00 +0.104 C ATOM 25 N LIG 1 -3.240 0.722 0.660 0.00 0.00 -0.286 NA ATOM 26 C LIG 1 -2.981 -0.437 1.537 0.00 0.00 +0.072 C ATOM 27 C LIG 1 -2.104 0.122 2.685 0.00 0.00 +0.022 C ATOM 28 C LIG 1 -0.800 0.688 2.101 0.00 0.00 +0.022 C ATOM 29 C LIG 1 -2.126 -1.562 0.865 0.00 0.00 +0.104 C BRANCH 25 30 ATOM 30 C LIG 1 -4.462 0.735 -0.167 0.00 0.00 +0.117 C BRANCH 30 31 ATOM 31 C LIG 1 -4.767 -0.581 -0.892 0.00 0.00 -0.026 A ATOM 32 C LIG 1 -5.552 -1.589 -0.301 0.00 0.00 +0.005 A ATOM 33 C LIG 1 -5.816 -2.781 -0.978 0.00 0.00 +0.000 A ATOM 34 C LIG 1 -5.299 -2.989 -2.254 0.00 0.00 +0.000 A ATOM 35 C LIG 1 -4.518 -2.004 -2.855 0.00 0.00 +0.000 A ATOM 36 C LIG 1 -4.255 -0.810 -2.181 0.00 0.00 +0.005 A ENDBRANCH 30 31 BRANCH 30 37 ATOM 37 C LIG 1 -5.690 1.333 0.551 0.00 0.00 -0.026 A ATOM 38 C LIG 1 -5.683 1.711 1.903 0.00 0.00 +0.005 A ATOM 39 C LIG 1 -6.818 2.262 2.505 0.00 0.00 +0.000 A ATOM 40 C LIG 1 -7.981 2.456 1.764 0.00 0.00 +0.000 A ATOM 41 C LIG 1 -8.008 2.104 0.418 0.00 0.00 +0.000 A ATOM 42 C LIG 1 -6.874 1.555 -0.184 0.00 0.00 +0.005 A ENDBRANCH 30 37 ENDBRANCH 25 30 ENDBRANCH 1 22 TORSDOF 6