REMARK Name = BDB022882 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.368 1.618 -2.592 0.00 0.00 +0.028 C ATOM 2 C LIG 1 -2.547 1.500 -1.072 0.00 0.00 +0.078 C ATOM 3 N LIG 1 -2.568 0.090 -0.636 0.00 0.00 -0.292 N ATOM 4 C LIG 1 -3.679 -0.636 -0.220 0.00 0.00 +0.220 C ATOM 5 O LIG 1 -3.609 -1.857 -0.060 0.00 0.00 -0.275 OA ATOM 6 C LIG 1 -1.306 -0.650 -0.791 0.00 0.00 +0.163 C ATOM 7 C LIG 1 -0.062 0.172 -0.520 0.00 0.00 +0.067 A ATOM 8 C LIG 1 -0.143 1.538 -0.316 0.00 0.00 -0.005 A ATOM 9 C LIG 1 1.055 2.169 -0.072 0.00 0.00 +0.120 A ATOM 10 N LIG 1 2.241 1.537 -0.058 0.00 0.00 -0.223 NA ATOM 11 C LIG 1 2.231 0.220 -0.292 0.00 0.00 +0.216 A ATOM 12 N LIG 1 1.118 -0.488 -0.519 0.00 0.00 -0.218 NA ATOM 13 C LIG 1 -1.452 2.264 -0.305 0.00 0.00 +0.060 C ENDROOT BRANCH 4 14 ATOM 14 C LIG 1 -4.997 0.104 0.043 0.00 0.00 +0.085 C ATOM 15 C LIG 1 -5.857 -0.662 1.084 0.00 0.00 +0.045 C ATOM 16 C LIG 1 -6.670 -1.822 0.454 0.00 0.00 +0.093 C ATOM 17 N LIG 1 -7.368 -1.462 -0.794 0.00 0.00 -0.305 NA ATOM 18 C LIG 1 -8.085 -2.623 -1.325 0.00 0.00 +0.104 C ATOM 19 C LIG 1 -6.428 -0.940 -1.787 0.00 0.00 +0.085 C ATOM 20 C LIG 1 -5.757 0.331 -1.269 0.00 0.00 +0.029 C BRANCH 15 21 ATOM 21 C LIG 1 -6.683 0.316 1.922 0.00 0.00 -0.042 A ATOM 22 C LIG 1 -6.139 0.811 3.121 0.00 0.00 +0.004 A ATOM 23 C LIG 1 -6.846 1.720 3.910 0.00 0.00 +0.000 A ATOM 24 C LIG 1 -8.107 2.155 3.511 0.00 0.00 +0.000 A ATOM 25 C LIG 1 -8.658 1.680 2.324 0.00 0.00 +0.000 A ATOM 26 C LIG 1 -7.951 0.769 1.534 0.00 0.00 +0.004 A ENDBRANCH 15 21 ENDBRANCH 4 14 BRANCH 11 27 ATOM 27 N LIG 1 3.409 -0.515 -0.309 0.00 0.00 -0.311 N ATOM 28 H LIG 1 3.096 -1.476 -0.200 0.00 0.00 +0.149 HD BRANCH 27 29 ATOM 29 C LIG 1 4.452 -0.080 0.622 0.00 0.00 +0.076 C ATOM 30 C LIG 1 5.273 -1.301 1.082 0.00 0.00 +0.041 C ATOM 31 C LIG 1 6.188 -1.827 -0.022 0.00 0.00 +0.109 C ATOM 32 N LIG 1 7.026 -0.748 -0.532 0.00 0.00 -0.301 N ATOM 33 C LIG 1 8.353 -0.666 -0.099 0.00 0.00 +0.216 C ATOM 34 O LIG 1 8.826 -1.515 0.656 0.00 0.00 -0.276 OA ATOM 35 C LIG 1 6.263 0.359 -1.107 0.00 0.00 +0.109 C ATOM 36 C LIG 1 5.365 0.974 -0.035 0.00 0.00 +0.041 C BRANCH 33 37 ATOM 37 C LIG 1 9.157 0.524 -0.617 0.00 0.00 +0.099 C BRANCH 37 38 ATOM 38 C LIG 1 10.642 0.609 -0.374 0.00 0.00 -0.002 C ATOM 39 C LIG 1 11.546 -0.595 -0.337 0.00 0.00 +0.004 C ATOM 40 C LIG 1 11.297 0.203 0.920 0.00 0.00 +0.004 C ENDBRANCH 37 38 ENDBRANCH 33 37 ENDBRANCH 27 29 ENDBRANCH 11 27 TORSDOF 6