REMARK Name = BDB035905 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.913 2.216 3.495 0.00 0.00 +0.047 C ATOM 2 C LIG 1 2.931 1.143 2.444 0.00 0.00 -0.007 A ATOM 3 C LIG 1 1.850 0.975 1.569 0.00 0.00 +0.141 A ATOM 4 C LIG 1 1.885 -0.024 0.599 0.00 0.00 +0.065 A ATOM 5 C LIG 1 0.737 -0.185 -0.314 0.00 0.00 +0.200 A ATOM 6 C LIG 1 -0.408 0.748 -0.120 0.00 0.00 +0.064 A ATOM 7 C LIG 1 -0.286 1.662 0.855 0.00 0.00 +0.208 A ATOM 8 O LIG 1 0.745 -1.051 -1.182 0.00 0.00 -0.286 OA ATOM 9 C LIG 1 2.997 -0.870 0.486 0.00 0.00 +0.020 A ATOM 10 C LIG 1 4.095 -0.722 1.344 0.00 0.00 -0.030 A ATOM 11 O LIG 1 0.779 1.823 1.706 0.00 0.00 -0.462 OA ATOM 12 C LIG 1 4.042 0.293 2.321 0.00 0.00 +0.012 A ENDROOT BRANCH 6 13 ATOM 13 C LIG 1 -1.615 0.704 -0.965 0.00 0.00 -0.011 A ATOM 14 C LIG 1 -2.899 0.678 -0.391 0.00 0.00 +0.013 A ATOM 15 C LIG 1 -4.087 0.620 -1.160 0.00 0.00 -0.033 A ATOM 16 C LIG 1 -3.916 0.594 -2.557 0.00 0.00 +0.004 A ATOM 17 C LIG 1 -2.651 0.620 -3.150 0.00 0.00 +0.001 A ATOM 18 C LIG 1 -1.508 0.671 -2.357 0.00 0.00 +0.009 A BRANCH 15 19 ATOM 19 C LIG 1 -5.526 0.563 -0.438 0.00 0.00 +0.056 C ATOM 20 C LIG 1 -5.910 1.846 0.380 0.00 0.00 +0.022 C ATOM 21 C LIG 1 -7.337 1.793 -0.202 0.00 0.00 -0.012 C ATOM 22 C LIG 1 -8.438 1.279 0.709 0.00 0.00 +0.007 C ATOM 23 C LIG 1 -6.822 0.818 -1.280 0.00 0.00 +0.022 C BRANCH 19 24 ATOM 24 C LIG 1 -5.623 -0.774 0.419 0.00 0.00 +0.144 A ATOM 25 N LIG 1 -5.530 -2.062 -0.033 0.00 0.00 -0.320 N ATOM 26 C LIG 1 -5.323 -2.519 -1.379 0.00 0.00 +0.151 C ATOM 27 C LIG 1 -5.642 -2.855 1.067 0.00 0.00 +0.224 A ATOM 28 N LIG 1 -5.791 -2.108 2.135 0.00 0.00 -0.138 NA ATOM 29 N LIG 1 -5.767 -0.795 1.729 0.00 0.00 -0.134 NA ENDBRANCH 19 24 ENDBRANCH 15 19 ENDBRANCH 6 13 BRANCH 10 30 ATOM 30 C LIG 1 5.331 -1.602 1.254 0.00 0.00 +0.081 C ATOM 31 C LIG 1 5.094 -3.053 0.818 0.00 0.00 +0.029 C BRANCH 30 32 ATOM 32 N LIG 1 6.500 -0.962 0.624 0.00 0.00 -0.304 NA ATOM 33 H LIG 1 6.838 -0.243 1.262 0.00 0.00 +0.123 HD BRANCH 32 34 ATOM 34 C LIG 1 6.403 -0.500 -0.777 0.00 0.00 +0.017 C ATOM 35 C LIG 1 7.825 0.049 -1.135 0.00 0.00 +0.022 C ATOM 36 C LIG 1 7.365 1.453 -0.705 0.00 0.00 +0.004 C ATOM 37 C LIG 1 5.910 0.973 -0.852 0.00 0.00 +0.022 C ATOM 38 C LIG 1 5.901 -1.484 -1.810 0.00 0.00 +0.027 C ENDBRANCH 32 34 ENDBRANCH 30 32 ENDBRANCH 10 30 TORSDOF 6