REMARK Name = BDB039476 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -3.053 2.594 0.855 0.00 0.00 +0.057 A ATOM 2 C LIG 1 -2.756 1.221 0.862 0.00 0.00 +0.111 A ATOM 3 C LIG 1 -3.840 0.325 0.750 0.00 0.00 +0.095 A ATOM 4 C LIG 1 -3.518 -1.036 0.742 0.00 0.00 -0.004 A ATOM 5 C LIG 1 -2.178 -1.442 0.869 0.00 0.00 +0.035 A ATOM 6 C LIG 1 -1.174 -0.489 0.977 0.00 0.00 +0.072 A ATOM 7 N LIG 1 -5.124 0.747 0.667 0.00 0.00 -0.253 NA ATOM 8 C LIG 1 -5.365 2.072 0.675 0.00 0.00 +0.113 A ATOM 9 N LIG 1 -1.459 0.831 0.961 0.00 0.00 -0.243 NA ATOM 10 C LIG 1 -4.375 3.026 0.767 0.00 0.00 +0.045 A ENDROOT BRANCH 6 11 ATOM 11 C LIG 1 0.258 -0.833 1.096 0.00 0.00 +0.001 A ATOM 12 C LIG 1 1.236 -0.005 0.499 0.00 0.00 +0.016 A ATOM 13 C LIG 1 2.577 -0.337 0.615 0.00 0.00 -0.017 A ATOM 14 C LIG 1 3.780 0.355 0.068 0.00 0.00 +0.144 C ATOM 15 N LIG 1 4.876 -0.445 0.602 0.00 0.00 -0.282 N ATOM 16 C LIG 1 4.420 -1.573 1.270 0.00 0.00 +0.248 C ATOM 17 O LIG 1 5.077 -2.483 1.738 0.00 0.00 -0.270 OA ATOM 18 C LIG 1 2.958 -1.476 1.316 0.00 0.00 +0.042 A ATOM 19 C LIG 1 2.047 -2.316 1.920 0.00 0.00 +0.014 A ATOM 20 C LIG 1 0.692 -1.983 1.808 0.00 0.00 +0.011 A BRANCH 15 21 ATOM 21 C LIG 1 6.256 -0.321 0.151 0.00 0.00 +0.163 C ATOM 22 C LIG 1 6.438 -0.784 -1.304 0.00 0.00 +0.240 C ATOM 23 O LIG 1 5.590 -1.393 -1.952 0.00 0.00 -0.273 OA ATOM 24 N LIG 1 7.647 -0.459 -1.876 0.00 0.00 -0.255 N ATOM 25 H LIG 1 7.751 -0.752 -2.839 0.00 0.00 +0.158 HD ATOM 26 C LIG 1 8.450 0.591 -1.509 0.00 0.00 +0.219 C ATOM 27 O LIG 1 9.290 1.045 -2.279 0.00 0.00 -0.275 OA ATOM 28 C LIG 1 8.256 1.134 -0.112 0.00 0.00 +0.098 C ATOM 29 C LIG 1 6.789 1.102 0.289 0.00 0.00 +0.041 C ENDBRANCH 15 21 ENDBRANCH 6 11 BRANCH 1 30 ATOM 30 N LIG 1 -1.989 3.535 0.984 0.00 0.00 -0.340 N ATOM 31 H LIG 1 -1.129 2.981 1.081 0.00 0.00 +0.146 HD BRANCH 30 33 ATOM 32 C LIG 1 -1.347 3.891 -1.373 0.00 0.00 +0.027 C ATOM 33 C LIG 1 -1.868 4.532 -0.087 0.00 0.00 +0.064 C ATOM 34 C LIG 1 -0.901 5.617 0.388 0.00 0.00 +0.027 C ENDBRANCH 30 33 ENDBRANCH 1 30 BRANCH 4 35 ATOM 35 C LIG 1 -4.599 -2.087 0.584 0.00 0.00 +0.121 C BRANCH 35 36 ATOM 36 N LIG 1 -4.934 -2.361 -0.826 0.00 0.00 -0.298 NA ATOM 37 C LIG 1 -3.982 -3.257 -1.495 0.00 0.00 +0.085 C ATOM 38 C LIG 1 -4.418 -4.672 -1.143 0.00 0.00 +0.017 C ATOM 39 C LIG 1 -5.883 -4.548 -0.747 0.00 0.00 +0.017 C ATOM 40 C LIG 1 -6.215 -3.075 -0.935 0.00 0.00 +0.085 C ENDBRANCH 35 36 ENDBRANCH 4 35 TORSDOF 6