REMARK Name = BDB000247 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 0.215 -1.128 -1.580 0.00 0.00 -0.296 N ATOM 2 C LIG 1 0.548 -0.073 -2.390 0.00 0.00 +0.181 C ATOM 3 N LIG 1 1.203 0.994 -2.052 0.00 0.00 -0.219 NA ATOM 4 C LIG 1 1.609 1.121 -0.722 0.00 0.00 +0.072 A ATOM 5 C LIG 1 1.435 0.090 0.202 0.00 0.00 -0.001 A ATOM 6 C LIG 1 1.855 0.264 1.530 0.00 0.00 +0.053 A ATOM 7 C LIG 1 2.445 1.463 1.927 0.00 0.00 +0.129 A ATOM 8 C LIG 1 2.596 2.506 1.013 0.00 0.00 +0.048 A ATOM 9 C LIG 1 2.187 2.325 -0.310 0.00 0.00 +0.032 A ATOM 10 C LIG 1 0.814 -1.201 -0.241 0.00 0.00 +0.145 C ENDROOT BRANCH 2 11 ATOM 11 N LIG 1 0.165 -0.151 -3.687 0.00 0.00 -0.331 N ATOM 12 H LIG 1 0.533 0.661 -4.172 0.00 0.00 +0.145 HD ATOM 13 H LIG 1 0.536 -0.981 -4.128 0.00 0.00 +0.145 HD ENDBRANCH 2 11 BRANCH 1 14 ATOM 14 C LIG 1 -0.833 -2.147 -1.831 0.00 0.00 +0.080 C BRANCH 14 15 ATOM 15 C LIG 1 -0.417 -3.187 -2.922 0.00 0.00 +0.010 C ATOM 16 C LIG 1 1.011 -3.722 -2.688 0.00 0.00 +0.005 C ATOM 17 C LIG 1 1.412 -4.783 -3.710 0.00 0.00 +0.000 C ATOM 18 C LIG 1 0.417 -5.935 -3.744 0.00 0.00 +0.000 C ATOM 19 C LIG 1 -0.997 -5.431 -3.996 0.00 0.00 +0.000 C ATOM 20 C LIG 1 -1.411 -4.370 -2.978 0.00 0.00 +0.005 C ENDBRANCH 14 15 BRANCH 14 21 ATOM 21 C LIG 1 -2.210 -1.493 -2.114 0.00 0.00 +0.032 C BRANCH 21 22 ATOM 22 C LIG 1 -2.623 -0.379 -1.141 0.00 0.00 +0.098 C BRANCH 22 25 ATOM 23 C LIG 1 -3.201 -0.338 2.647 0.00 0.00 +0.132 C ATOM 24 N LIG 1 -3.077 0.110 1.263 0.00 0.00 -0.301 N ATOM 25 C LIG 1 -2.818 -0.858 0.290 0.00 0.00 +0.216 C ATOM 26 O LIG 1 -2.775 -2.060 0.561 0.00 0.00 -0.276 OA BRANCH 24 27 ATOM 27 C LIG 1 -3.066 1.569 1.009 0.00 0.00 +0.076 C ATOM 28 C LIG 1 -1.651 2.156 1.201 0.00 0.00 +0.022 C ATOM 29 C LIG 1 -1.646 3.634 1.596 0.00 0.00 +0.002 C ATOM 30 C LIG 1 -2.815 4.386 0.977 0.00 0.00 +0.000 C ATOM 31 C LIG 1 -4.163 3.820 1.427 0.00 0.00 +0.002 C ATOM 32 C LIG 1 -4.102 2.345 1.836 0.00 0.00 +0.022 C ENDBRANCH 24 27 ENDBRANCH 22 25 ENDBRANCH 21 22 ENDBRANCH 14 21 ENDBRANCH 1 14 BRANCH 7 33 ATOM 33 O LIG 1 2.790 1.578 3.255 0.00 0.00 -0.456 OA BRANCH 33 34 ATOM 34 C LIG 1 4.016 2.131 3.546 0.00 0.00 +0.128 A ATOM 35 C LIG 1 5.196 1.725 2.918 0.00 0.00 +0.046 A ATOM 36 C LIG 1 6.411 2.303 3.288 0.00 0.00 +0.004 A ATOM 37 C LIG 1 6.448 3.270 4.293 0.00 0.00 +0.000 A ATOM 38 C LIG 1 5.271 3.658 4.935 0.00 0.00 +0.004 A ATOM 39 C LIG 1 4.054 3.082 4.566 0.00 0.00 +0.046 A ENDBRANCH 33 34 ENDBRANCH 7 33 TORSDOF 9