REMARK Name = BDB006433 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.591 1.526 -2.768 0.00 0.00 +0.046 C ATOM 2 C LIG 1 1.157 0.405 -1.966 0.00 0.00 -0.022 A ATOM 3 C LIG 1 0.625 -0.128 -0.751 0.00 0.00 +0.004 A ATOM 4 C LIG 1 1.472 -1.156 -0.331 0.00 0.00 +0.050 A ATOM 5 C LIG 1 1.234 -1.874 0.855 0.00 0.00 +0.027 A ATOM 6 C LIG 1 0.109 -1.545 1.616 0.00 0.00 +0.015 A ATOM 7 C LIG 1 -0.765 -0.537 1.208 0.00 0.00 +0.037 A ATOM 8 N LIG 1 2.489 -1.252 -1.267 0.00 0.00 -0.339 N ATOM 9 C LIG 1 -0.506 0.188 0.035 0.00 0.00 +0.023 A ATOM 10 C LIG 1 2.302 -0.317 -2.268 0.00 0.00 +0.020 A ATOM 11 C LIG 1 3.235 -0.166 -3.422 0.00 0.00 +0.064 C ENDROOT BRANCH 7 12 ATOM 12 C LIG 1 -1.946 -0.242 2.064 0.00 0.00 +0.245 C ATOM 13 N LIG 1 -3.070 0.214 1.412 0.00 0.00 -0.305 N ATOM 14 H LIG 1 -3.072 0.315 0.407 0.00 0.00 +0.150 HD ATOM 15 O LIG 1 -1.894 -0.431 3.273 0.00 0.00 -0.270 OA BRANCH 13 16 ATOM 16 C LIG 1 -4.279 0.612 2.125 0.00 0.00 +0.104 C BRANCH 16 17 ATOM 17 C LIG 1 -5.520 0.322 1.281 0.00 0.00 -0.027 A ATOM 18 C LIG 1 -5.592 -0.891 0.560 0.00 0.00 +0.009 A ATOM 19 C LIG 1 -6.712 -1.237 -0.216 0.00 0.00 -0.044 A ATOM 20 C LIG 1 -7.795 -0.355 -0.251 0.00 0.00 +0.004 A ATOM 21 C LIG 1 -7.763 0.830 0.480 0.00 0.00 +0.001 A ATOM 22 C LIG 1 -6.643 1.159 1.247 0.00 0.00 +0.005 A BRANCH 19 23 ATOM 23 C LIG 1 -6.723 -2.550 -0.979 0.00 0.00 +0.013 C ATOM 24 C LIG 1 -6.832 -2.321 -2.488 0.00 0.00 +0.012 C ATOM 25 C LIG 1 -7.836 -3.478 -0.486 0.00 0.00 +0.012 C ENDBRANCH 19 23 ENDBRANCH 16 17 BRANCH 16 26 ATOM 26 C LIG 1 -4.101 2.041 2.704 0.00 0.00 +0.030 C BRANCH 26 27 ATOM 27 C LIG 1 -3.464 3.112 1.785 0.00 0.00 -0.015 C ATOM 28 C LIG 1 -4.226 3.368 0.487 0.00 0.00 +0.007 C ATOM 29 C LIG 1 -3.321 4.427 2.560 0.00 0.00 +0.007 C ENDBRANCH 26 27 ENDBRANCH 16 26 ENDBRANCH 13 16 ENDBRANCH 7 12 BRANCH 8 30 ATOM 30 C LIG 1 3.568 -2.240 -1.221 0.00 0.00 +0.157 C BRANCH 30 31 ATOM 31 C LIG 1 4.896 -1.651 -0.805 0.00 0.00 -0.028 A ATOM 32 C LIG 1 5.026 -0.880 0.357 0.00 0.00 +0.006 A ATOM 33 C LIG 1 6.271 -0.367 0.738 0.00 0.00 +0.009 A ATOM 34 C LIG 1 7.423 -0.616 -0.023 0.00 0.00 -0.018 A ATOM 35 C LIG 1 7.288 -1.401 -1.178 0.00 0.00 +0.009 A ATOM 36 C LIG 1 6.045 -1.915 -1.563 0.00 0.00 +0.006 A BRANCH 34 37 ATOM 37 C LIG 1 8.731 -0.073 0.379 0.00 0.00 -0.018 A ATOM 38 C LIG 1 8.902 1.301 0.613 0.00 0.00 +0.008 A ATOM 39 C LIG 1 10.144 1.818 0.993 0.00 0.00 +0.001 A ATOM 40 C LIG 1 11.236 0.968 1.147 0.00 0.00 +0.000 A ATOM 41 C LIG 1 11.087 -0.398 0.920 0.00 0.00 +0.001 A ATOM 42 C LIG 1 9.845 -0.913 0.539 0.00 0.00 +0.008 A ENDBRANCH 34 37 ENDBRANCH 30 31 ENDBRANCH 8 30 TORSDOF 9