REMARK Name = BDB022652 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -4.039 2.617 -0.470 0.00 0.00 +0.019 A ATOM 2 C LIG 1 -3.550 1.333 -0.334 0.00 0.00 +0.166 A ATOM 3 N LIG 1 -2.366 1.300 -1.018 0.00 0.00 -0.183 N ATOM 4 C LIG 1 -1.611 0.116 -1.075 0.00 0.00 +0.221 A ATOM 5 N LIG 1 -2.076 -0.939 -0.460 0.00 0.00 -0.181 NA ATOM 6 C LIG 1 -3.274 -0.858 0.221 0.00 0.00 +0.220 A ATOM 7 N LIG 1 -2.034 2.481 -1.591 0.00 0.00 -0.170 NA ATOM 8 N LIG 1 -4.002 0.222 0.296 0.00 0.00 -0.195 NA ATOM 9 C LIG 1 -3.057 3.273 -1.256 0.00 0.00 +0.141 A ENDROOT BRANCH 1 11 ATOM 10 C LIG 1 -6.249 3.666 -1.013 0.00 0.00 +0.012 C ATOM 11 C LIG 1 -5.313 3.171 0.091 0.00 0.00 +0.018 C ATOM 12 C LIG 1 -5.043 4.284 1.106 0.00 0.00 +0.012 C ENDBRANCH 1 11 BRANCH 6 13 ATOM 13 N LIG 1 -3.642 -2.028 0.819 0.00 0.00 -0.310 N ATOM 14 H LIG 1 -3.075 -2.801 0.493 0.00 0.00 +0.149 HD BRANCH 13 15 ATOM 15 C LIG 1 -4.970 -2.384 1.288 0.00 0.00 +0.077 C ATOM 16 C LIG 1 -6.013 -2.351 0.173 0.00 0.00 +0.050 C ATOM 17 C LIG 1 -7.374 -2.738 0.736 0.00 0.00 +0.161 C ATOM 18 O LIG 1 -7.733 -1.901 1.834 0.00 0.00 -0.380 OA ATOM 19 C LIG 1 -6.811 -1.988 2.920 0.00 0.00 +0.161 C ATOM 20 C LIG 1 -5.417 -1.551 2.488 0.00 0.00 +0.050 C ENDBRANCH 13 15 ENDBRANCH 6 13 BRANCH 4 21 ATOM 21 N LIG 1 -0.411 0.010 -1.747 0.00 0.00 -0.309 N ATOM 22 H LIG 1 0.072 -0.862 -1.562 0.00 0.00 +0.149 HD BRANCH 21 23 ATOM 23 C LIG 1 0.438 1.112 -2.138 0.00 0.00 +0.139 C BRANCH 23 24 ATOM 24 C LIG 1 1.779 0.568 -2.576 0.00 0.00 -0.029 A ATOM 25 C LIG 1 2.835 0.449 -1.652 0.00 0.00 +0.028 A ATOM 26 C LIG 1 4.072 -0.096 -2.018 0.00 0.00 +0.028 A ATOM 27 C LIG 1 4.248 -0.464 -3.360 0.00 0.00 +0.023 A ATOM 28 C LIG 1 3.208 -0.364 -4.287 0.00 0.00 +0.002 A ATOM 29 C LIG 1 1.972 0.139 -3.893 0.00 0.00 +0.005 A BRANCH 26 30 ATOM 30 N LIG 1 5.178 -0.167 -1.161 0.00 0.00 -0.340 N ATOM 31 H LIG 1 5.807 -0.914 -1.446 0.00 0.00 +0.146 HD BRANCH 30 32 ATOM 32 C LIG 1 4.974 -0.133 0.276 0.00 0.00 +0.129 C BRANCH 32 33 ATOM 33 C LIG 1 6.326 -0.246 0.905 0.00 0.00 -0.003 C ATOM 34 C LIG 1 6.733 -1.301 1.629 0.00 0.00 +0.065 C BRANCH 34 35 ATOM 35 C LIG 1 8.052 -1.312 2.305 0.00 0.00 +0.239 C ATOM 36 N LIG 1 9.188 -1.176 1.527 0.00 0.00 -0.304 N ATOM 37 C LIG 1 9.230 -1.255 0.073 0.00 0.00 +0.132 C ATOM 38 C LIG 1 10.470 -1.023 2.193 0.00 0.00 +0.132 C ATOM 39 O LIG 1 8.068 -1.459 3.525 0.00 0.00 -0.271 OA ENDBRANCH 34 35 ENDBRANCH 32 33 ENDBRANCH 30 32 ENDBRANCH 26 30 ENDBRANCH 23 24 ENDBRANCH 21 23 ENDBRANCH 4 21 TORSDOF 10