REMARK Name = BDB047755 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.125 -2.905 -0.018 0.00 0.00 +0.082 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 1.871 -2.234 -1.172 0.00 0.00 +0.232 C BRANCH 2 3 ATOM 3 O LIG 1 2.471 -1.004 -0.766 0.00 0.00 -0.492 OA BRANCH 3 9 ATOM 4 N LIG 1 6.195 1.468 1.129 0.00 0.00 -0.336 N ATOM 5 C LIG 1 5.465 0.366 0.728 0.00 0.00 +0.053 A ATOM 6 C LIG 1 6.243 -0.759 1.012 0.00 0.00 +0.000 A ATOM 7 C LIG 1 5.737 -2.032 0.690 0.00 0.00 +0.013 A ATOM 8 C LIG 1 4.475 -2.150 0.090 0.00 0.00 +0.046 A ATOM 9 C LIG 1 3.712 -1.020 -0.191 0.00 0.00 +0.122 A ATOM 10 C LIG 1 7.450 -0.301 1.603 0.00 0.00 +0.027 A ATOM 11 C LIG 1 4.200 0.255 0.127 0.00 0.00 +0.072 A ATOM 12 C LIG 1 7.394 1.072 1.662 0.00 0.00 +0.087 A BRANCH 4 13 ATOM 13 C LIG 1 5.781 2.857 0.988 0.00 0.00 +0.242 C BRANCH 13 15 ATOM 14 O LIG 1 6.363 4.743 -0.368 0.00 0.00 -0.249 OA ATOM 15 C LIG 1 6.261 3.524 -0.278 0.00 0.00 +0.325 C BRANCH 15 16 ATOM 16 O LIG 1 6.518 2.729 -1.340 0.00 0.00 -0.479 OA ATOM 17 H LIG 1 6.407 1.767 -1.199 0.00 0.00 +0.295 HD ENDBRANCH 15 16 ENDBRANCH 13 15 ENDBRANCH 4 13 ENDBRANCH 3 9 ENDBRANCH 2 3 ENDBRANCH 1 2 BRANCH 1 18 ATOM 18 C LIG 1 0.009 -2.027 0.546 0.00 0.00 +0.232 C BRANCH 18 19 ATOM 19 O LIG 1 -0.987 -1.852 -0.463 0.00 0.00 -0.492 OA BRANCH 19 20 ATOM 20 C LIG 1 -2.054 -1.055 -0.153 0.00 0.00 +0.121 A ATOM 21 C LIG 1 -2.954 -0.854 -1.204 0.00 0.00 +0.046 A ATOM 22 C LIG 1 -4.092 -0.062 -1.031 0.00 0.00 +0.015 A ATOM 23 C LIG 1 -4.345 0.525 0.212 0.00 0.00 +0.022 A ATOM 24 C LIG 1 -3.436 0.342 1.261 0.00 0.00 +0.015 A ATOM 25 C LIG 1 -2.298 -0.451 1.080 0.00 0.00 +0.046 A BRANCH 23 26 ATOM 26 C LIG 1 -5.532 1.386 0.447 0.00 0.00 +0.193 C ATOM 27 O LIG 1 -5.438 2.343 1.210 0.00 0.00 -0.287 OA BRANCH 26 28 ATOM 28 C LIG 1 -6.833 1.118 -0.216 0.00 0.00 +0.022 A ATOM 29 C LIG 1 -7.288 -0.189 -0.445 0.00 0.00 +0.014 A ATOM 30 C LIG 1 -8.527 -0.395 -1.056 0.00 0.00 +0.039 A ATOM 31 C LIG 1 -9.306 0.698 -1.420 0.00 0.00 +0.123 A ATOM 32 F LIG 1 -10.493 0.494 -2.004 0.00 0.00 -0.205 F ATOM 33 C LIG 1 -8.875 1.998 -1.180 0.00 0.00 +0.039 A ATOM 34 C LIG 1 -7.638 2.210 -0.570 0.00 0.00 +0.014 A ENDBRANCH 26 28 ENDBRANCH 23 26 ENDBRANCH 19 20 ENDBRANCH 18 19 ENDBRANCH 1 18 TORSDOF 11