REMARK Name = BDB047185 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.347 1.575 -1.736 0.00 0.00 +0.034 A ATOM 2 C LIG 1 -2.275 2.095 -0.822 0.00 0.00 +0.027 A ATOM 3 C LIG 1 -3.526 2.577 -1.245 0.00 0.00 -0.040 A ATOM 4 C LIG 1 -3.822 2.570 -2.613 0.00 0.00 +0.004 A ATOM 5 C LIG 1 -2.902 2.060 -3.528 0.00 0.00 +0.002 A ATOM 6 C LIG 1 -1.671 1.563 -3.091 0.00 0.00 +0.023 A ENDROOT BRANCH 1 8 ATOM 7 C LIG 1 0.900 0.479 -1.889 0.00 0.00 +0.252 C ATOM 8 N LIG 1 -0.123 1.112 -1.210 0.00 0.00 -0.281 N ATOM 9 H LIG 1 -0.025 1.180 -0.208 0.00 0.00 +0.155 HD ATOM 10 O LIG 1 0.873 0.126 -3.062 0.00 0.00 -0.270 OA BRANCH 7 15 ATOM 11 N LIG 1 3.889 -0.835 -0.289 0.00 0.00 -0.239 N ATOM 12 N LIG 1 3.714 0.238 0.523 0.00 0.00 -0.171 NA ATOM 13 C LIG 1 2.640 0.874 0.044 0.00 0.00 +0.072 A ATOM 14 C LIG 1 2.229 2.158 0.672 0.00 0.00 +0.068 C ATOM 15 C LIG 1 2.065 0.189 -1.058 0.00 0.00 +0.078 A ATOM 16 C LIG 1 2.915 -0.883 -1.256 0.00 0.00 +0.127 A BRANCH 11 20 ATOM 17 C LIG 1 7.123 -3.495 0.368 0.00 0.00 +0.120 A ATOM 18 C LIG 1 6.227 -3.720 -0.680 0.00 0.00 +0.048 A ATOM 19 C LIG 1 5.155 -2.852 -0.912 0.00 0.00 +0.031 A ATOM 20 C LIG 1 4.969 -1.738 -0.084 0.00 0.00 +0.066 A ATOM 21 C LIG 1 5.869 -1.512 0.969 0.00 0.00 +0.031 A ATOM 22 C LIG 1 6.940 -2.387 1.192 0.00 0.00 +0.048 A BRANCH 17 24 ATOM 23 C LIG 1 9.067 -4.231 1.520 0.00 0.00 +0.277 C ATOM 24 O LIG 1 8.121 -4.424 0.476 0.00 0.00 -0.495 OA ENDBRANCH 17 24 ENDBRANCH 11 20 ENDBRANCH 7 15 ENDBRANCH 1 8 BRANCH 3 25 ATOM 25 C LIG 1 -4.517 3.145 -0.255 0.00 0.00 +0.093 C BRANCH 25 26 ATOM 26 C LIG 1 -4.731 2.260 0.967 0.00 0.00 +0.074 A ATOM 27 C LIG 1 -5.580 1.044 0.867 0.00 0.00 +0.011 A ATOM 28 C LIG 1 -5.729 0.277 2.021 0.00 0.00 +0.050 A ATOM 29 C LIG 1 -6.511 -0.884 2.011 0.00 0.00 +0.014 A ATOM 30 C LIG 1 -7.146 -1.281 0.836 0.00 0.00 +0.001 A ATOM 31 C LIG 1 -7.001 -0.520 -0.322 0.00 0.00 +0.001 A ATOM 32 C LIG 1 -5.052 0.700 3.257 0.00 0.00 +0.272 A ATOM 33 O LIG 1 -5.157 0.058 4.297 0.00 0.00 -0.266 OA ATOM 34 N LIG 1 -4.302 1.846 3.174 0.00 0.00 -0.242 N ATOM 35 H LIG 1 -3.835 2.157 4.021 0.00 0.00 +0.192 HD ATOM 36 C LIG 1 -6.221 0.641 -0.310 0.00 0.00 +0.010 A ATOM 37 N LIG 1 -4.135 2.618 2.068 0.00 0.00 -0.175 NA ENDBRANCH 25 26 ENDBRANCH 3 25 TORSDOF 6