REMARK Name = BDB053408 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.073 -1.988 -0.317 0.00 0.00 +0.121 C ATOM 2 C LIG 1 0.955 -0.913 -0.062 0.00 0.00 -0.021 A ATOM 3 C LIG 1 1.645 -0.617 -1.243 0.00 0.00 -0.042 A ATOM 4 C LIG 1 2.670 0.316 -1.262 0.00 0.00 +0.012 A ATOM 5 C LIG 1 3.018 0.972 -0.069 0.00 0.00 -0.017 A ATOM 6 C LIG 1 2.310 0.670 1.116 0.00 0.00 +0.009 A ATOM 7 C LIG 1 1.149 -1.450 -2.385 0.00 0.00 +0.038 C ATOM 8 C LIG 1 1.286 -0.282 1.128 0.00 0.00 +0.006 A ATOM 9 C LIG 1 -0.204 -1.943 -1.855 0.00 0.00 +0.034 C ENDROOT BRANCH 1 16 ATOM 10 C LIG 1 -4.087 1.140 0.614 0.00 0.00 -0.022 A ATOM 11 C LIG 1 -4.220 -0.064 1.362 0.00 0.00 -0.017 A ATOM 12 C LIG 1 -5.374 -0.318 2.287 0.00 0.00 +0.046 C ATOM 13 C LIG 1 -3.193 -1.012 1.206 0.00 0.00 +0.111 A ATOM 14 N LIG 1 -3.020 -2.248 1.780 0.00 0.00 -0.230 NA ATOM 15 C LIG 1 -1.889 -2.721 1.290 0.00 0.00 +0.112 A ATOM 16 N LIG 1 -1.315 -1.818 0.411 0.00 0.00 -0.305 N ATOM 17 C LIG 1 -2.146 -0.725 0.350 0.00 0.00 +0.162 A ATOM 18 N LIG 1 -1.972 0.387 -0.382 0.00 0.00 -0.232 NA ATOM 19 C LIG 1 -2.961 1.302 -0.228 0.00 0.00 +0.044 A ATOM 20 C LIG 1 -2.755 2.558 -1.034 0.00 0.00 +0.066 C BRANCH 10 22 ATOM 21 C LIG 1 -6.253 2.018 -0.336 0.00 0.00 +0.009 C ATOM 22 C LIG 1 -5.154 2.214 0.699 0.00 0.00 +0.034 C ENDBRANCH 10 22 BRANCH 15 23 ATOM 23 C LIG 1 -1.314 -4.053 1.650 0.00 0.00 +0.071 C ATOM 24 C LIG 1 -1.647 -5.109 0.609 0.00 0.00 +0.012 C ENDBRANCH 15 23 ENDBRANCH 1 16 BRANCH 5 25 ATOM 25 C LIG 1 4.117 1.950 -0.048 0.00 0.00 -0.007 A ATOM 26 C LIG 1 5.484 1.595 -0.170 0.00 0.00 +0.028 A ATOM 27 C LIG 1 6.449 2.623 -0.189 0.00 0.00 +0.012 A ATOM 28 C LIG 1 6.089 3.966 -0.072 0.00 0.00 +0.001 A ATOM 29 C LIG 1 4.752 4.312 0.063 0.00 0.00 +0.001 A ATOM 30 C LIG 1 3.777 3.315 0.072 0.00 0.00 +0.009 A BRANCH 26 31 ATOM 31 C LIG 1 5.977 0.217 -0.276 0.00 0.00 +0.180 A ATOM 32 N LIG 1 5.355 -0.909 0.195 0.00 0.00 -0.239 N ATOM 33 H LIG 1 4.469 -1.009 0.672 0.00 0.00 +0.192 HD ATOM 34 N LIG 1 6.096 -1.998 -0.050 0.00 0.00 -0.046 NA ATOM 35 N LIG 1 7.179 -1.543 -0.658 0.00 0.00 -0.023 NA ATOM 36 N LIG 1 7.127 -0.178 -0.797 0.00 0.00 -0.108 NA ENDBRANCH 26 31 ENDBRANCH 5 25 TORSDOF 5