REMARK Name = BDB058599 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.944 -0.584 -1.093 0.00 0.00 +0.089 C ENDROOT BRANCH 1 2 ATOM 2 N LIG 1 -0.519 -0.490 -1.236 0.00 0.00 -0.302 NA ATOM 3 C LIG 1 -1.034 0.845 -0.890 0.00 0.00 +0.085 C ATOM 4 C LIG 1 -2.301 1.257 -1.650 0.00 0.00 +0.023 C ATOM 5 C LIG 1 -3.244 0.083 -1.939 0.00 0.00 +0.021 C ATOM 6 C LIG 1 -2.484 -1.094 -2.587 0.00 0.00 +0.023 C ATOM 7 C LIG 1 -0.961 -0.925 -2.560 0.00 0.00 +0.085 C BRANCH 5 8 ATOM 8 C LIG 1 -4.065 -0.283 -0.708 0.00 0.00 -0.044 A ATOM 9 C LIG 1 -5.347 0.275 -0.546 0.00 0.00 +0.012 A ATOM 10 C LIG 1 -6.144 -0.002 0.581 0.00 0.00 -0.016 A ATOM 11 C LIG 1 -5.622 -0.859 1.561 0.00 0.00 +0.008 A ATOM 12 C LIG 1 -4.351 -1.415 1.422 0.00 0.00 +0.001 A ATOM 13 C LIG 1 -3.578 -1.127 0.298 0.00 0.00 +0.004 A BRANCH 10 14 ATOM 14 C LIG 1 -7.479 0.593 0.727 0.00 0.00 +0.000 A ATOM 15 C LIG 1 -7.854 1.292 1.877 0.00 0.00 +0.119 A ATOM 16 N LIG 1 -9.069 1.862 2.078 0.00 0.00 -0.263 NA ATOM 17 C LIG 1 -9.966 1.735 1.079 0.00 0.00 +0.111 A ATOM 18 C LIG 1 -9.707 1.068 -0.105 0.00 0.00 +0.020 A ATOM 19 C LIG 1 -8.449 0.492 -0.279 0.00 0.00 +0.011 A ENDBRANCH 10 14 ENDBRANCH 5 8 ENDBRANCH 1 2 BRANCH 1 20 ATOM 20 C LIG 1 1.425 -0.392 0.357 0.00 0.00 +0.053 C BRANCH 20 24 ATOM 21 N LIG 1 5.110 -0.245 0.598 0.00 0.00 -0.220 N ATOM 22 N LIG 1 4.929 -1.580 0.769 0.00 0.00 -0.173 NA ATOM 23 C LIG 1 3.612 -1.764 0.707 0.00 0.00 +0.138 A ATOM 24 C LIG 1 2.899 -0.572 0.487 0.00 0.00 -0.008 A ATOM 25 C LIG 1 3.886 0.387 0.422 0.00 0.00 +0.120 A BRANCH 21 30 ATOM 26 O LIG 1 11.108 0.474 0.936 0.00 0.00 -0.267 OA ATOM 27 C LIG 1 10.052 -0.147 0.947 0.00 0.00 +0.259 A ATOM 28 C LIG 1 8.750 0.520 0.758 0.00 0.00 +0.070 A ATOM 29 C LIG 1 7.589 -0.269 0.781 0.00 0.00 +0.122 A ATOM 30 C LIG 1 6.383 0.423 0.597 0.00 0.00 +0.180 A ATOM 31 N LIG 1 6.330 1.786 0.403 0.00 0.00 -0.234 NA ATOM 32 C LIG 1 7.483 2.483 0.391 0.00 0.00 +0.114 A ATOM 33 N LIG 1 7.683 -1.662 0.981 0.00 0.00 -0.233 NA ATOM 34 C LIG 1 8.839 -2.199 1.144 0.00 0.00 +0.200 A ATOM 35 C LIG 1 8.715 1.900 0.563 0.00 0.00 +0.035 A ATOM 36 N LIG 1 10.007 -1.501 1.136 0.00 0.00 -0.313 N ATOM 37 H LIG 1 10.892 -1.970 1.266 0.00 0.00 +0.170 HD ENDBRANCH 21 30 ENDBRANCH 20 24 ENDBRANCH 1 20 TORSDOF 6