REMARK Name = BDB019859 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.687 0.479 -0.487 0.00 0.00 +0.038 A ATOM 2 C LIG 1 -0.305 1.464 -0.563 0.00 0.00 +0.021 A ATOM 3 C LIG 1 -1.581 1.249 -0.020 0.00 0.00 -0.013 A ATOM 4 C LIG 1 -1.841 0.014 0.600 0.00 0.00 +0.014 A ATOM 5 C LIG 1 -0.868 -0.998 0.666 0.00 0.00 -0.026 A ATOM 6 C LIG 1 0.400 -0.751 0.119 0.00 0.00 +0.018 A ENDROOT BRANCH 3 7 ATOM 7 C LIG 1 -2.622 2.294 -0.086 0.00 0.00 +0.024 A ATOM 8 C LIG 1 -3.112 2.799 -1.312 0.00 0.00 +0.128 A ATOM 9 C LIG 1 -4.091 3.800 -1.309 0.00 0.00 +0.046 A ATOM 10 C LIG 1 -4.593 4.304 -0.106 0.00 0.00 +0.007 A ATOM 11 C LIG 1 -4.135 3.808 1.115 0.00 0.00 -0.050 A ATOM 12 C LIG 1 -4.648 4.367 2.409 0.00 0.00 +0.044 C ATOM 13 C LIG 1 -3.146 2.817 1.114 0.00 0.00 +0.015 A BRANCH 8 14 ATOM 14 O LIG 1 -2.589 2.240 -2.452 0.00 0.00 -0.495 OA ATOM 15 C LIG 1 -2.984 2.789 -3.701 0.00 0.00 +0.277 C ENDBRANCH 8 14 ENDBRANCH 3 7 BRANCH 1 18 ATOM 16 N LIG 1 3.088 0.086 -0.556 0.00 0.00 -0.306 N ATOM 17 H LIG 1 3.012 -0.435 0.310 0.00 0.00 +0.149 HD ATOM 18 C LIG 1 2.022 0.773 -1.081 0.00 0.00 +0.244 C ATOM 19 O LIG 1 2.144 1.606 -1.973 0.00 0.00 -0.270 OA BRANCH 16 20 ATOM 20 C LIG 1 4.442 0.361 -0.982 0.00 0.00 +0.160 C BRANCH 20 23 ATOM 21 C LIG 1 7.682 -1.323 0.014 0.00 0.00 +0.123 A ATOM 22 C LIG 1 6.773 -0.528 -0.676 0.00 0.00 +0.070 A ATOM 23 C LIG 1 5.443 -0.514 -0.257 0.00 0.00 +0.062 A ATOM 24 N LIG 1 4.998 -1.238 0.808 0.00 0.00 -0.258 NA ATOM 25 C LIG 1 5.906 -1.998 1.456 0.00 0.00 +0.114 A ATOM 26 C LIG 1 7.239 -2.072 1.099 0.00 0.00 +0.065 A BRANCH 21 28 ATOM 27 C LIG 1 9.518 -0.710 -1.370 0.00 0.00 +0.277 C ATOM 28 O LIG 1 9.014 -1.454 -0.267 0.00 0.00 -0.495 OA ENDBRANCH 21 28 ENDBRANCH 20 23 ENDBRANCH 16 20 ENDBRANCH 1 18 BRANCH 5 29 ATOM 29 C LIG 1 -1.165 -2.322 1.339 0.00 0.00 +0.159 C BRANCH 29 30 ATOM 30 N LIG 1 -2.351 -2.956 0.803 0.00 0.00 -0.313 N ATOM 31 C LIG 1 -3.610 -2.994 1.416 0.00 0.00 +0.204 A ATOM 32 N LIG 1 -3.997 -2.506 2.539 0.00 0.00 -0.268 NA ATOM 33 H LIG 1 -3.220 -2.038 3.002 0.00 0.00 +0.190 HD ATOM 34 N LIG 1 -4.411 -3.691 0.506 0.00 0.00 -0.320 N ATOM 35 C LIG 1 -5.837 -3.832 0.663 0.00 0.00 +0.152 C ATOM 36 C LIG 1 -3.680 -4.002 -0.628 0.00 0.00 +0.106 A ATOM 37 C LIG 1 -2.427 -3.567 -0.447 0.00 0.00 +0.107 A ENDBRANCH 29 30 ENDBRANCH 5 29 TORSDOF 8