REMARK Name = BDB004815 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.821 -2.261 -0.965 0.00 0.00 +0.034 A ATOM 2 C LIG 1 -1.800 -2.307 0.030 0.00 0.00 +0.028 A ATOM 3 C LIG 1 -3.099 -2.768 -0.252 0.00 0.00 -0.029 A ATOM 4 C LIG 1 -3.410 -3.175 -1.555 0.00 0.00 +0.005 A ATOM 5 C LIG 1 -2.440 -3.135 -2.553 0.00 0.00 +0.002 A ATOM 6 C LIG 1 -1.153 -2.681 -2.259 0.00 0.00 +0.023 A ENDROOT BRANCH 1 8 ATOM 7 C LIG 1 1.058 -1.375 0.435 0.00 0.00 +0.250 C ATOM 8 N LIG 1 0.497 -1.800 -0.756 0.00 0.00 -0.281 N ATOM 9 H LIG 1 1.103 -1.848 -1.564 0.00 0.00 +0.155 HD ATOM 10 O LIG 1 0.525 -1.372 1.538 0.00 0.00 -0.270 OA BRANCH 7 14 ATOM 11 C LIG 1 5.120 -0.079 0.358 0.00 0.00 +0.121 A ATOM 12 N LIG 1 4.610 -0.712 1.437 0.00 0.00 -0.240 NA ATOM 13 C LIG 1 3.307 -1.093 1.419 0.00 0.00 +0.126 A ATOM 14 C LIG 1 2.461 -0.904 0.340 0.00 0.00 +0.055 A ATOM 15 C LIG 1 2.981 -0.257 -0.776 0.00 0.00 +0.018 A ATOM 16 C LIG 1 4.319 0.149 -0.764 0.00 0.00 +0.044 A BRANCH 11 21 ATOM 17 C LIG 1 10.134 1.894 0.290 0.00 0.00 +0.105 C ATOM 18 N LIG 1 8.993 1.671 1.173 0.00 0.00 -0.302 NA ATOM 19 C LIG 1 8.728 0.221 1.328 0.00 0.00 +0.103 C ATOM 20 C LIG 1 7.239 -0.132 1.541 0.00 0.00 +0.122 C ATOM 21 N LIG 1 6.459 0.297 0.367 0.00 0.00 -0.313 N ATOM 22 C LIG 1 6.832 1.603 -0.207 0.00 0.00 +0.122 C ATOM 23 C LIG 1 7.790 2.394 0.716 0.00 0.00 +0.103 C ENDBRANCH 11 21 ENDBRANCH 7 14 ENDBRANCH 1 8 BRANCH 3 24 ATOM 24 C LIG 1 -4.151 -2.791 0.835 0.00 0.00 +0.138 C BRANCH 24 25 ATOM 25 N LIG 1 -4.663 -1.449 1.097 0.00 0.00 -0.324 N ATOM 26 H LIG 1 -3.912 -0.767 1.035 0.00 0.00 +0.148 HD BRANCH 25 27 ATOM 27 C LIG 1 -5.755 -1.007 0.323 0.00 0.00 +0.130 A ATOM 28 C LIG 1 -6.239 0.308 0.499 0.00 0.00 +0.041 A ATOM 29 C LIG 1 -7.329 0.695 -0.307 0.00 0.00 +0.088 A ATOM 30 C LIG 1 -7.814 2.013 -0.162 0.00 0.00 +0.063 A ATOM 31 C LIG 1 -7.243 2.907 0.764 0.00 0.00 +0.015 A ATOM 32 C LIG 1 -6.185 2.512 1.566 0.00 0.00 +0.002 A ATOM 33 N LIG 1 -7.878 -0.181 -1.178 0.00 0.00 -0.235 NA ATOM 34 C LIG 1 -7.365 -1.415 -1.233 0.00 0.00 +0.223 A ATOM 35 C LIG 1 -5.689 1.222 1.435 0.00 0.00 +0.013 A ATOM 36 N LIG 1 -6.336 -1.870 -0.523 0.00 0.00 -0.220 NA BRANCH 30 37 ATOM 37 C LIG 1 -8.956 2.560 -0.962 0.00 0.00 +0.244 C ATOM 38 O LIG 1 -9.357 3.709 -0.807 0.00 0.00 -0.270 OA ATOM 39 N LIG 1 -9.554 1.751 -1.881 0.00 0.00 -0.325 N ATOM 40 H LIG 1 -10.339 2.104 -2.409 0.00 0.00 +0.145 HD ATOM 41 H LIG 1 -9.250 0.789 -2.004 0.00 0.00 +0.145 HD ENDBRANCH 30 37 ENDBRANCH 25 27 ENDBRANCH 24 25 ENDBRANCH 3 24 TORSDOF 7