REMARK Name = BDB034340 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.071 -1.119 -0.655 0.00 0.00 +0.038 A ATOM 2 C LIG 1 0.121 -0.340 -0.558 0.00 0.00 +0.021 A ATOM 3 C LIG 1 0.986 -0.583 0.537 0.00 0.00 +0.076 A ATOM 4 C LIG 1 2.141 0.173 0.676 0.00 0.00 +0.074 A ATOM 5 C LIG 1 2.491 1.151 -0.257 0.00 0.00 +0.130 A ATOM 6 C LIG 1 1.658 1.406 -1.337 0.00 0.00 +0.047 A ATOM 7 N LIG 1 0.746 -1.526 1.459 0.00 0.00 -0.255 NA ATOM 8 C LIG 1 -0.355 -2.284 1.312 0.00 0.00 +0.113 A ATOM 9 C LIG 1 0.490 0.660 -1.493 0.00 0.00 +0.015 A ATOM 10 C LIG 1 -1.268 -2.131 0.286 0.00 0.00 +0.043 A ENDROOT BRANCH 1 11 ATOM 11 N LIG 1 -1.957 -0.918 -1.738 0.00 0.00 -0.343 N ATOM 12 H LIG 1 -2.037 0.078 -1.927 0.00 0.00 +0.146 HD BRANCH 11 13 ATOM 13 C LIG 1 -3.252 -1.593 -1.761 0.00 0.00 +0.103 C BRANCH 13 14 ATOM 14 C LIG 1 -4.037 -1.235 -3.026 0.00 0.00 +0.034 C BRANCH 14 15 ATOM 15 C LIG 1 -4.436 0.240 -3.165 0.00 0.00 +0.083 C BRANCH 15 16 ATOM 16 N LIG 1 -5.162 0.829 -2.042 0.00 0.00 -0.312 NA ATOM 17 H LIG 1 -4.642 0.720 -1.173 0.00 0.00 +0.122 HD BRANCH 16 18 ATOM 18 C LIG 1 -6.505 0.272 -1.866 0.00 0.00 +0.120 C BRANCH 18 20 ATOM 19 C LIG 1 -7.713 0.224 0.395 0.00 0.00 +0.125 A ATOM 20 C LIG 1 -7.223 0.946 -0.714 0.00 0.00 +0.011 A ATOM 21 C LIG 1 -7.423 2.339 -0.767 0.00 0.00 +0.046 A ATOM 22 C LIG 1 -8.082 2.992 0.265 0.00 0.00 +0.124 A ATOM 23 F LIG 1 -8.261 4.317 0.203 0.00 0.00 -0.205 F ATOM 24 C LIG 1 -8.557 2.288 1.362 0.00 0.00 +0.042 A ATOM 25 C LIG 1 -8.372 0.904 1.428 0.00 0.00 +0.049 A BRANCH 19 27 ATOM 26 C LIG 1 -8.063 -1.902 1.431 0.00 0.00 +0.277 C ATOM 27 O LIG 1 -7.495 -1.130 0.378 0.00 0.00 -0.495 OA ENDBRANCH 19 27 ENDBRANCH 18 20 ENDBRANCH 16 18 ENDBRANCH 15 16 ENDBRANCH 14 15 ENDBRANCH 13 14 ENDBRANCH 11 13 ENDBRANCH 1 11 BRANCH 5 28 ATOM 28 O LIG 1 3.609 1.944 -0.134 0.00 0.00 -0.456 OA BRANCH 28 29 ATOM 29 C LIG 1 4.785 1.330 0.231 0.00 0.00 +0.128 A ATOM 30 C LIG 1 5.528 1.928 1.242 0.00 0.00 +0.046 A ATOM 31 C LIG 1 6.747 1.369 1.643 0.00 0.00 +0.008 A ATOM 32 C LIG 1 7.255 0.210 1.030 0.00 0.00 -0.042 A ATOM 33 C LIG 1 6.492 -0.358 -0.010 0.00 0.00 +0.008 A ATOM 34 C LIG 1 5.274 0.197 -0.413 0.00 0.00 +0.046 A BRANCH 32 35 ATOM 35 C LIG 1 8.588 -0.435 1.448 0.00 0.00 -0.013 C ATOM 36 C LIG 1 8.337 -1.883 1.924 0.00 0.00 +0.015 C ATOM 37 C LIG 1 9.307 0.305 2.600 0.00 0.00 +0.015 C ATOM 38 C LIG 1 9.556 -0.457 0.246 0.00 0.00 +0.015 C ENDBRANCH 32 35 ENDBRANCH 28 29 ENDBRANCH 5 28 TORSDOF 11