REMARK Name = BDB021459 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -3.716 -0.039 -0.119 0.00 0.00 -0.030 A ATOM 2 C LIG 1 -3.080 -0.899 -1.024 0.00 0.00 +0.051 A ATOM 3 C LIG 1 -1.684 -1.091 -1.023 0.00 0.00 +0.133 A ATOM 4 O LIG 1 -1.317 -1.990 -1.983 0.00 0.00 -0.490 OA ATOM 5 C LIG 1 0.025 -2.447 -2.003 0.00 0.00 +0.248 C ATOM 6 C LIG 1 0.981 -1.299 -2.266 0.00 0.00 +0.149 C ATOM 7 N LIG 1 1.438 -0.710 -1.018 0.00 0.00 -0.292 N ATOM 8 C LIG 1 0.592 -0.419 0.046 0.00 0.00 +0.250 C ATOM 9 O LIG 1 1.073 -0.154 1.152 0.00 0.00 -0.270 OA ATOM 10 C LIG 1 -0.894 -0.388 -0.106 0.00 0.00 +0.078 A ATOM 11 C LIG 1 -1.543 0.477 0.804 0.00 0.00 +0.017 A ATOM 12 C LIG 1 -2.928 0.653 0.798 0.00 0.00 +0.006 A ENDROOT BRANCH 1 13 ATOM 13 C LIG 1 -5.221 0.150 -0.156 0.00 0.00 +0.120 C BRANCH 13 15 ATOM 14 C LIG 1 -7.332 0.163 1.133 0.00 0.00 +0.083 C ATOM 15 N LIG 1 -5.867 -0.090 1.149 0.00 0.00 -0.293 NA ATOM 16 C LIG 1 -5.774 -1.501 1.565 0.00 0.00 +0.085 C ATOM 17 C LIG 1 -6.946 -2.218 0.910 0.00 0.00 +0.017 C ATOM 18 C LIG 1 -7.955 -1.124 0.587 0.00 0.00 +0.022 C BRANCH 14 19 ATOM 19 C LIG 1 -7.851 1.449 0.456 0.00 0.00 +0.178 C BRANCH 19 21 ATOM 20 C LIG 1 -8.262 2.554 -1.585 0.00 0.00 +0.194 C ATOM 21 O LIG 1 -7.814 1.354 -0.970 0.00 0.00 -0.381 OA ENDBRANCH 19 21 ENDBRANCH 14 19 ENDBRANCH 13 15 ENDBRANCH 1 13 BRANCH 7 22 ATOM 22 C LIG 1 2.891 -0.534 -0.837 0.00 0.00 +0.140 C BRANCH 22 23 ATOM 23 C LIG 1 3.551 -1.750 -0.162 0.00 0.00 +0.146 C BRANCH 23 24 ATOM 24 O LIG 1 3.257 -1.811 1.239 0.00 0.00 -0.389 OA ATOM 25 H LIG 1 2.465 -1.255 1.406 0.00 0.00 +0.210 HD ENDBRANCH 23 24 BRANCH 23 26 ATOM 26 C LIG 1 5.085 -1.844 -0.390 0.00 0.00 +0.117 C BRANCH 26 27 ATOM 27 N LIG 1 6.010 -0.796 0.069 0.00 0.00 -0.295 NA ATOM 28 C LIG 1 6.103 0.370 -0.812 0.00 0.00 +0.120 C ATOM 29 C LIG 1 7.083 1.419 -0.325 0.00 0.00 -0.030 A ATOM 30 C LIG 1 7.486 1.459 1.021 0.00 0.00 -0.042 A ATOM 31 C LIG 1 8.366 2.460 1.456 0.00 0.00 +0.004 A ATOM 32 C LIG 1 8.823 3.431 0.565 0.00 0.00 +0.000 A ATOM 33 C LIG 1 8.411 3.406 -0.765 0.00 0.00 +0.000 A ATOM 34 C LIG 1 7.027 0.387 1.978 0.00 0.00 +0.051 C ATOM 35 C LIG 1 7.544 2.407 -1.208 0.00 0.00 +0.005 A ATOM 36 C LIG 1 5.808 -0.392 1.463 0.00 0.00 +0.089 C ENDBRANCH 26 27 ENDBRANCH 23 26 ENDBRANCH 22 23 ENDBRANCH 7 22 TORSDOF 9