REMARK Name = BDB024466 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.693 -1.398 1.940 0.00 0.00 +0.244 C ATOM 2 N LIG 1 0.402 -1.018 1.207 0.00 0.00 -0.309 N ATOM 3 H LIG 1 1.255 -1.408 1.592 0.00 0.00 +0.149 HD ATOM 4 O LIG 1 -0.550 -2.086 2.947 0.00 0.00 -0.270 OA ENDROOT BRANCH 1 9 ATOM 5 C LIG 1 -4.349 -1.562 1.178 0.00 0.00 +0.124 A ATOM 6 N LIG 1 -4.612 -0.284 0.824 0.00 0.00 -0.218 NA ATOM 7 C LIG 1 -3.628 0.640 0.840 0.00 0.00 +0.122 A ATOM 8 C LIG 1 -2.329 0.328 1.183 0.00 0.00 +0.056 A ATOM 9 C LIG 1 -2.049 -0.988 1.527 0.00 0.00 +0.043 A ATOM 10 C LIG 1 -3.067 -1.936 1.556 0.00 0.00 +0.056 A BRANCH 5 15 ATOM 11 C LIG 1 -8.538 -4.148 -1.039 0.00 0.00 +0.105 C ATOM 12 N LIG 1 -7.180 -3.618 -0.961 0.00 0.00 -0.302 NA ATOM 13 C LIG 1 -6.345 -4.455 -0.069 0.00 0.00 +0.103 C ATOM 14 C LIG 1 -5.065 -3.738 0.418 0.00 0.00 +0.122 C ATOM 15 N LIG 1 -5.387 -2.512 1.188 0.00 0.00 -0.313 N ATOM 16 C LIG 1 -6.741 -1.975 0.935 0.00 0.00 +0.122 C ATOM 17 C LIG 1 -7.168 -2.197 -0.532 0.00 0.00 +0.103 C ENDBRANCH 5 15 BRANCH 7 18 ATOM 18 N LIG 1 -4.019 1.932 0.464 0.00 0.00 -0.326 N ATOM 19 H LIG 1 -5.034 1.900 0.395 0.00 0.00 +0.148 HD BRANCH 18 20 ATOM 20 C LIG 1 -3.490 3.142 1.003 0.00 0.00 +0.072 C ATOM 21 C LIG 1 -4.227 4.389 0.450 0.00 0.00 +0.022 C ATOM 22 C LIG 1 -2.848 5.073 0.363 0.00 0.00 +0.004 C ATOM 23 C LIG 1 -2.237 3.661 0.259 0.00 0.00 +0.022 C ENDBRANCH 18 20 ENDBRANCH 7 18 ENDBRANCH 1 9 BRANCH 2 24 ATOM 24 C LIG 1 0.454 -0.698 -0.218 0.00 0.00 +0.137 C BRANCH 24 25 ATOM 25 C LIG 1 1.340 0.519 -0.543 0.00 0.00 +0.145 C BRANCH 25 26 ATOM 26 O LIG 1 0.693 1.708 -0.066 0.00 0.00 -0.389 OA ATOM 27 H LIG 1 1.262 2.463 -0.293 0.00 0.00 +0.210 HD ENDBRANCH 25 26 BRANCH 25 28 ATOM 28 C LIG 1 2.767 0.435 0.047 0.00 0.00 +0.117 C BRANCH 28 29 ATOM 29 N LIG 1 3.526 -0.781 -0.299 0.00 0.00 -0.294 NA ATOM 30 C LIG 1 4.783 -0.860 0.490 0.00 0.00 +0.138 C ATOM 31 C LIG 1 5.851 0.009 -0.091 0.00 0.00 +0.037 A ATOM 32 N LIG 1 6.991 0.437 0.539 0.00 0.00 -0.345 N ATOM 33 C LIG 1 7.731 1.231 -0.323 0.00 0.00 +0.049 A ATOM 34 C LIG 1 7.045 1.270 -1.543 0.00 0.00 +0.003 A ATOM 35 C LIG 1 7.590 2.013 -2.610 0.00 0.00 +0.010 A ATOM 36 C LIG 1 8.797 2.696 -2.430 0.00 0.00 +0.001 A ATOM 37 C LIG 1 9.461 2.648 -1.209 0.00 0.00 +0.002 A ATOM 38 C LIG 1 8.942 1.918 -0.135 0.00 0.00 +0.026 A ATOM 39 C LIG 1 7.370 0.121 1.899 0.00 0.00 +0.149 C ATOM 40 C LIG 1 5.871 0.492 -1.384 0.00 0.00 -0.016 A ATOM 41 C LIG 1 4.759 0.203 -2.333 0.00 0.00 +0.053 C ATOM 42 C LIG 1 3.829 -0.893 -1.751 0.00 0.00 +0.089 C ENDBRANCH 28 29 ENDBRANCH 25 28 ENDBRANCH 24 25 ENDBRANCH 2 24 TORSDOF 9