REMARK Name = BDB029334 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.469 -1.339 -0.015 0.00 0.00 -0.263 N ATOM 2 C LIG 1 0.082 -0.169 -0.548 0.00 0.00 +0.252 C ATOM 3 O LIG 1 -0.421 0.904 -0.823 0.00 0.00 -0.270 OA ATOM 4 C LIG 1 1.509 -0.425 -0.763 0.00 0.00 +0.045 A ATOM 5 C LIG 1 2.468 0.414 -1.278 0.00 0.00 +0.038 A ATOM 6 C LIG 1 3.744 -0.119 -1.367 0.00 0.00 +0.056 A ATOM 7 N LIG 1 4.039 -1.397 -0.969 0.00 0.00 -0.255 NA ATOM 8 C LIG 1 3.070 -2.203 -0.457 0.00 0.00 +0.050 A ATOM 9 C LIG 1 1.786 -1.718 -0.355 0.00 0.00 +0.004 A ATOM 10 C LIG 1 0.549 -2.372 0.144 0.00 0.00 +0.151 C ENDROOT BRANCH 1 13 ATOM 11 C LIG 1 -4.168 -0.731 0.520 0.00 0.00 -0.039 A ATOM 12 C LIG 1 -2.804 -0.555 0.180 0.00 0.00 +0.027 A ATOM 13 C LIG 1 -1.830 -1.554 0.339 0.00 0.00 +0.037 A ATOM 14 C LIG 1 -2.246 -2.786 0.857 0.00 0.00 +0.023 A ATOM 15 C LIG 1 -3.582 -3.008 1.189 0.00 0.00 +0.002 A ATOM 16 C LIG 1 -4.526 -1.997 1.016 0.00 0.00 +0.004 A BRANCH 11 17 ATOM 17 C LIG 1 -5.262 0.471 0.308 0.00 0.00 +0.005 C ATOM 18 C LIG 1 -4.811 1.888 0.854 0.00 0.00 +0.030 C ATOM 19 C LIG 1 -5.447 1.501 2.210 0.00 0.00 +0.093 C ATOM 20 C LIG 1 -6.394 0.571 1.410 0.00 0.00 +0.030 C BRANCH 19 21 ATOM 21 C LIG 1 -6.088 2.565 2.949 0.00 0.00 +0.066 C ATOM 22 N LIG 1 -6.607 3.395 3.571 0.00 0.00 -0.196 NA ENDBRANCH 19 21 BRANCH 17 23 ATOM 23 C LIG 1 -5.712 0.413 -1.167 0.00 0.00 +0.088 C BRANCH 23 26 ATOM 24 C LIG 1 -8.640 -0.454 -1.791 0.00 0.00 +0.151 C ATOM 25 N LIG 1 -8.127 0.889 -1.808 0.00 0.00 -0.320 N ATOM 26 C LIG 1 -6.848 1.303 -1.536 0.00 0.00 +0.134 A ATOM 27 N LIG 1 -6.800 2.612 -1.675 0.00 0.00 -0.135 NA ATOM 28 N LIG 1 -8.053 3.058 -2.019 0.00 0.00 -0.138 NA ATOM 29 C LIG 1 -8.838 2.011 -2.100 0.00 0.00 +0.224 A ENDBRANCH 23 26 ENDBRANCH 17 23 ENDBRANCH 11 17 ENDBRANCH 1 13 BRANCH 8 30 ATOM 30 C LIG 1 3.436 -3.603 -0.033 0.00 0.00 +0.038 C ATOM 31 C LIG 1 3.441 -3.973 1.433 0.00 0.00 +0.010 C ATOM 32 C LIG 1 4.738 -3.855 0.692 0.00 0.00 +0.010 C ENDBRANCH 8 30 BRANCH 6 33 ATOM 33 C LIG 1 4.889 0.720 -1.911 0.00 0.00 +0.139 C BRANCH 33 34 ATOM 34 N LIG 1 5.741 1.413 -0.923 0.00 0.00 -0.296 NA ATOM 35 C LIG 1 6.462 0.482 -0.049 0.00 0.00 +0.097 C ATOM 36 C LIG 1 7.491 1.193 0.838 0.00 0.00 +0.107 C ATOM 37 C LIG 1 6.839 2.360 1.594 0.00 0.00 +0.015 C ATOM 38 C LIG 1 6.005 3.256 0.681 0.00 0.00 +0.016 C ATOM 39 C LIG 1 5.026 2.440 -0.164 0.00 0.00 +0.085 C BRANCH 36 40 ATOM 40 C LIG 1 8.718 1.618 0.047 0.00 0.00 +0.394 C ATOM 41 F LIG 1 8.467 2.530 -0.911 0.00 0.00 -0.170 F ATOM 42 F LIG 1 9.305 0.550 -0.543 0.00 0.00 -0.170 F ATOM 43 F LIG 1 9.644 2.157 0.879 0.00 0.00 -0.170 F ENDBRANCH 36 40 ENDBRANCH 33 34 ENDBRANCH 6 33 TORSDOF 9