REMARK Name = BDB063802 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 0.109 0.661 0.242 0.00 0.00 -0.263 N ATOM 2 C LIG 1 1.244 1.396 0.600 0.00 0.00 +0.251 C ATOM 3 O LIG 1 1.368 2.418 1.249 0.00 0.00 -0.270 OA ATOM 4 C LIG 1 2.404 0.700 0.029 0.00 0.00 +0.043 A ATOM 5 C LIG 1 3.742 1.040 0.117 0.00 0.00 +0.018 A ATOM 6 C LIG 1 4.672 0.207 -0.519 0.00 0.00 -0.032 A ATOM 7 C LIG 1 4.220 -0.944 -1.212 0.00 0.00 +0.017 A ATOM 8 C LIG 1 2.854 -1.275 -1.290 0.00 0.00 +0.061 A ATOM 9 C LIG 1 1.955 -0.424 -0.654 0.00 0.00 -0.006 A ATOM 10 C LIG 1 0.466 -0.506 -0.557 0.00 0.00 +0.150 C ENDROOT BRANCH 1 13 ATOM 11 C LIG 1 -3.644 0.407 0.454 0.00 0.00 -0.035 A ATOM 12 C LIG 1 -2.290 0.139 0.145 0.00 0.00 +0.028 A ATOM 13 C LIG 1 -1.238 0.963 0.581 0.00 0.00 +0.037 A ATOM 14 C LIG 1 -1.573 2.080 1.351 0.00 0.00 +0.023 A ATOM 15 C LIG 1 -2.903 2.366 1.670 0.00 0.00 +0.002 A ATOM 16 C LIG 1 -3.932 1.539 1.224 0.00 0.00 +0.004 A BRANCH 11 17 ATOM 17 C LIG 1 -4.704 -0.545 -0.096 0.00 0.00 +0.090 C BRANCH 17 20 ATOM 18 C LIG 1 -5.160 2.002 -1.983 0.00 0.00 +0.151 C ATOM 19 N LIG 1 -5.034 0.624 -2.377 0.00 0.00 -0.320 N ATOM 20 C LIG 1 -4.830 -0.487 -1.595 0.00 0.00 +0.141 A ATOM 21 N LIG 1 -4.761 -1.541 -2.388 0.00 0.00 -0.134 NA ATOM 22 N LIG 1 -4.920 -1.124 -3.684 0.00 0.00 -0.138 NA ATOM 23 C LIG 1 -5.081 0.176 -3.663 0.00 0.00 +0.224 A ENDBRANCH 17 20 BRANCH 17 24 ATOM 24 C LIG 1 -6.079 -0.407 0.571 0.00 0.00 +0.004 C ATOM 25 C LIG 1 -6.195 -0.836 2.063 0.00 0.00 +0.009 C ATOM 26 C LIG 1 -7.551 -1.509 1.735 0.00 0.00 +0.003 C ATOM 27 C LIG 1 -7.116 -1.522 0.249 0.00 0.00 +0.009 C BRANCH 26 28 ATOM 28 C LIG 1 -8.855 -0.805 2.124 0.00 0.00 +0.122 C BRANCH 28 29 ATOM 29 C LIG 1 -8.938 0.593 1.682 0.00 0.00 +0.063 C ATOM 30 N LIG 1 -8.982 1.698 1.329 0.00 0.00 -0.197 NA ENDBRANCH 28 29 ENDBRANCH 26 28 ENDBRANCH 17 24 ENDBRANCH 11 17 ENDBRANCH 1 13 BRANCH 8 31 ATOM 31 C LIG 1 2.377 -2.499 -2.025 0.00 0.00 +0.418 C ATOM 32 F LIG 1 3.376 -3.226 -2.593 0.00 0.00 -0.166 F ATOM 33 F LIG 1 1.701 -3.354 -1.210 0.00 0.00 -0.166 F ATOM 34 F LIG 1 1.516 -2.187 -3.032 0.00 0.00 -0.166 F ENDBRANCH 8 31 BRANCH 6 35 ATOM 35 C LIG 1 6.155 0.513 -0.447 0.00 0.00 +0.116 C BRANCH 35 36 ATOM 36 N LIG 1 6.813 -0.436 0.445 0.00 0.00 -0.307 NA ATOM 37 H LIG 1 6.324 -0.421 1.341 0.00 0.00 +0.123 HD BRANCH 36 38 ATOM 38 C LIG 1 8.278 -0.354 0.592 0.00 0.00 +0.017 C ATOM 39 C LIG 1 9.021 -0.260 -0.758 0.00 0.00 +0.022 C ATOM 40 C LIG 1 9.199 1.256 -0.533 0.00 0.00 +0.004 C ATOM 41 C LIG 1 8.762 1.072 0.934 0.00 0.00 +0.022 C ATOM 42 C LIG 1 8.775 -1.452 1.521 0.00 0.00 +0.027 C ENDBRANCH 36 38 ENDBRANCH 35 36 ENDBRANCH 6 35 TORSDOF 10