REMARK Name = BDB034383 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.422 -0.777 -2.068 0.00 0.00 +0.038 A ATOM 2 C LIG 1 1.667 -0.634 -1.382 0.00 0.00 +0.021 A ATOM 3 C LIG 1 2.837 -0.460 -2.158 0.00 0.00 +0.073 A ATOM 4 C LIG 1 4.061 -0.291 -1.522 0.00 0.00 +0.037 A ATOM 5 C LIG 1 4.205 -0.300 -0.126 0.00 0.00 -0.016 A ATOM 6 C LIG 1 3.054 -0.492 0.640 0.00 0.00 +0.009 A ATOM 7 N LIG 1 2.831 -0.457 -3.498 0.00 0.00 -0.255 NA ATOM 8 C LIG 1 1.656 -0.657 -4.120 0.00 0.00 +0.113 A ATOM 9 C LIG 1 1.810 -0.659 0.026 0.00 0.00 +0.012 A ATOM 10 C LIG 1 0.454 -0.832 -3.462 0.00 0.00 +0.043 A ENDROOT BRANCH 5 11 ATOM 11 C LIG 1 5.524 -0.123 0.507 0.00 0.00 -0.014 A ATOM 12 C LIG 1 5.714 0.838 1.518 0.00 0.00 +0.058 A ATOM 13 C LIG 1 6.967 0.967 2.081 0.00 0.00 +0.167 A ATOM 14 O LIG 1 7.310 1.845 3.062 0.00 0.00 -0.453 OA ATOM 15 C LIG 1 8.707 1.528 3.233 0.00 0.00 +0.466 C ATOM 16 O LIG 1 9.167 0.472 2.364 0.00 0.00 -0.453 OA ATOM 17 C LIG 1 8.025 0.186 1.684 0.00 0.00 +0.166 A ATOM 18 C LIG 1 7.890 -0.767 0.701 0.00 0.00 +0.050 A ATOM 19 C LIG 1 6.629 -0.918 0.112 0.00 0.00 +0.012 A ENDBRANCH 5 11 BRANCH 1 20 ATOM 20 N LIG 1 -0.767 -0.980 -1.347 0.00 0.00 -0.343 N ATOM 21 H LIG 1 -0.738 -0.547 -0.428 0.00 0.00 +0.146 HD BRANCH 20 22 ATOM 22 C LIG 1 -2.091 -0.875 -1.957 0.00 0.00 +0.103 C BRANCH 22 23 ATOM 23 C LIG 1 -2.486 0.567 -2.281 0.00 0.00 +0.034 C BRANCH 23 24 ATOM 24 C LIG 1 -2.517 1.524 -1.081 0.00 0.00 +0.083 C BRANCH 24 25 ATOM 25 N LIG 1 -3.385 1.140 0.031 0.00 0.00 -0.312 NA ATOM 26 H LIG 1 -3.176 0.196 0.350 0.00 0.00 +0.122 HD BRANCH 25 27 ATOM 27 C LIG 1 -4.808 1.222 -0.296 0.00 0.00 +0.120 C BRANCH 27 35 ATOM 28 C LIG 1 -6.626 1.284 3.075 0.00 0.00 +0.004 A ATOM 29 C LIG 1 -7.195 0.011 3.125 0.00 0.00 +0.049 A ATOM 30 C LIG 1 -6.968 -0.835 2.061 0.00 0.00 +0.167 A ATOM 31 O LIG 1 -7.436 -2.107 1.952 0.00 0.00 -0.453 OA ATOM 32 C LIG 1 -6.891 -2.490 0.675 0.00 0.00 +0.466 C ATOM 33 O LIG 1 -6.114 -1.449 0.047 0.00 0.00 -0.452 OA ATOM 34 C LIG 1 -6.215 -0.453 0.972 0.00 0.00 +0.171 A ATOM 35 C LIG 1 -5.645 0.807 0.882 0.00 0.00 +0.012 A ATOM 36 C LIG 1 -5.855 1.677 1.966 0.00 0.00 +0.009 A ENDBRANCH 27 35 ENDBRANCH 25 27 ENDBRANCH 24 25 ENDBRANCH 23 24 ENDBRANCH 22 23 ENDBRANCH 20 22 ENDBRANCH 1 20 TORSDOF 8