REMARK Name = BDB015185 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.271 0.281 -1.793 0.00 0.00 +0.121 A ATOM 2 C LIG 1 -0.780 0.950 -1.160 0.00 0.00 +0.054 A ATOM 3 C LIG 1 -2.107 0.806 -1.609 0.00 0.00 -0.014 A ATOM 4 C LIG 1 -2.353 -0.027 -2.712 0.00 0.00 +0.009 A ATOM 5 C LIG 1 -1.308 -0.694 -3.350 0.00 0.00 +0.004 A ATOM 6 C LIG 1 -0.002 -0.539 -2.889 0.00 0.00 +0.045 A ENDROOT BRANCH 3 7 ATOM 7 C LIG 1 -3.211 1.510 -0.935 0.00 0.00 -0.016 A ATOM 8 C LIG 1 -4.291 0.782 -0.394 0.00 0.00 +0.036 A ATOM 9 C LIG 1 -5.322 1.486 0.246 0.00 0.00 +0.069 A ATOM 10 C LIG 1 -5.307 2.876 0.358 0.00 0.00 +0.089 A ATOM 11 N LIG 1 -6.416 3.333 1.021 0.00 0.00 -0.236 NA ATOM 12 C LIG 1 -7.106 2.257 1.315 0.00 0.00 +0.200 A ATOM 13 C LIG 1 -4.237 3.603 -0.180 0.00 0.00 +0.030 A ATOM 14 N LIG 1 -6.491 1.115 0.871 0.00 0.00 -0.327 N ATOM 15 C LIG 1 -3.201 2.909 -0.820 0.00 0.00 +0.011 A BRANCH 14 16 ATOM 16 C LIG 1 -7.035 -0.224 1.062 0.00 0.00 +0.091 C ATOM 17 C LIG 1 -7.379 -0.922 -0.260 0.00 0.00 +0.040 C ATOM 18 C LIG 1 -7.947 -2.313 0.004 0.00 0.00 +0.083 C ATOM 19 N LIG 1 -7.045 -3.122 0.822 0.00 0.00 -0.316 NA ATOM 20 H LIG 1 -6.169 -3.274 0.321 0.00 0.00 +0.122 HD ATOM 21 C LIG 1 -6.770 -2.491 2.112 0.00 0.00 +0.083 C ATOM 22 C LIG 1 -6.147 -1.108 1.946 0.00 0.00 +0.040 C ENDBRANCH 14 16 ENDBRANCH 3 7 BRANCH 1 23 ATOM 23 O LIG 1 1.592 0.344 -1.444 0.00 0.00 -0.489 OA BRANCH 23 24 ATOM 24 C LIG 1 1.930 1.129 -0.303 0.00 0.00 +0.261 C BRANCH 24 25 ATOM 25 C LIG 1 3.446 1.057 -0.056 0.00 0.00 +0.166 C BRANCH 25 26 ATOM 26 O LIG 1 3.769 1.955 1.015 0.00 0.00 -0.387 OA ATOM 27 H LIG 1 3.457 1.554 1.846 0.00 0.00 +0.210 HD ENDBRANCH 25 26 BRANCH 25 28 ATOM 28 C LIG 1 3.895 -0.391 0.276 0.00 0.00 +0.119 C BRANCH 28 29 ATOM 29 N LIG 1 5.335 -0.702 0.256 0.00 0.00 -0.295 NA ATOM 30 C LIG 1 6.139 0.133 1.162 0.00 0.00 +0.120 C ATOM 31 C LIG 1 7.611 -0.235 1.145 0.00 0.00 -0.030 A ATOM 32 C LIG 1 8.174 -0.889 0.034 0.00 0.00 -0.042 A ATOM 33 C LIG 1 9.543 -1.184 0.020 0.00 0.00 +0.004 A ATOM 34 C LIG 1 10.355 -0.809 1.091 0.00 0.00 +0.000 A ATOM 35 C LIG 1 9.804 -0.143 2.183 0.00 0.00 +0.000 A ATOM 36 C LIG 1 7.291 -1.331 -1.107 0.00 0.00 +0.051 C ATOM 37 C LIG 1 8.440 0.147 2.210 0.00 0.00 +0.005 A ATOM 38 C LIG 1 5.911 -0.655 -1.095 0.00 0.00 +0.089 C ENDBRANCH 28 29 ENDBRANCH 25 28 ENDBRANCH 24 25 ENDBRANCH 23 24 ENDBRANCH 1 23 TORSDOF 8