REMARK Name = BDB056700 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.275 -2.263 1.022 0.00 0.00 +0.234 C ATOM 2 N LIG 1 1.002 -1.780 1.228 0.00 0.00 -0.268 N ATOM 3 C LIG 1 2.035 -1.440 0.342 0.00 0.00 +0.058 A ATOM 4 C LIG 1 3.104 -0.887 1.041 0.00 0.00 +0.070 A ATOM 5 N LIG 1 4.251 -0.449 0.488 0.00 0.00 -0.257 NA ATOM 6 C LIG 1 4.345 -0.613 -0.849 0.00 0.00 +0.115 A ATOM 7 C LIG 1 3.357 -1.201 -1.641 0.00 0.00 -0.023 A ATOM 8 C LIG 1 2.822 -0.829 2.528 0.00 0.00 +0.025 C ATOM 9 C LIG 1 2.585 0.617 2.969 0.00 0.00 +0.019 C ATOM 10 C LIG 1 3.947 -1.470 3.343 0.00 0.00 +0.019 C ATOM 11 C LIG 1 2.167 -1.623 -1.021 0.00 0.00 +0.030 A ATOM 12 C LIG 1 1.525 -1.661 2.601 0.00 0.00 +0.126 C ATOM 13 O LIG 1 -0.906 -2.754 1.964 0.00 0.00 -0.274 OA ENDROOT BRANCH 1 14 ATOM 14 C LIG 1 -0.904 -2.107 -0.375 0.00 0.00 +0.181 C BRANCH 14 21 ATOM 15 C LIG 1 -5.040 -3.450 -1.951 0.00 0.00 +0.025 C ATOM 16 C LIG 1 -4.551 -2.046 -1.564 0.00 0.00 +0.065 C ATOM 17 N LIG 1 -5.085 -1.719 -0.216 0.00 0.00 -0.311 NA ATOM 18 H LIG 1 -4.801 -2.491 0.403 0.00 0.00 +0.122 HD ATOM 19 C LIG 1 -4.382 -0.519 0.289 0.00 0.00 +0.101 C ATOM 20 C LIG 1 -2.846 -0.757 0.479 0.00 0.00 +0.085 C ATOM 21 N LIG 1 -2.369 -1.928 -0.317 0.00 0.00 -0.287 NA ATOM 22 C LIG 1 -2.993 -1.957 -1.645 0.00 0.00 +0.103 C BRANCH 20 23 ATOM 23 C LIG 1 -2.082 0.590 0.247 0.00 0.00 +0.105 C BRANCH 23 24 ATOM 24 N LIG 1 -2.472 1.686 1.156 0.00 0.00 -0.294 NA ATOM 25 C LIG 1 -1.892 3.018 0.827 0.00 0.00 +0.079 C ATOM 26 C LIG 1 -1.732 3.326 -0.664 0.00 0.00 +0.026 C ATOM 27 C LIG 1 -0.565 3.281 1.574 0.00 0.00 +0.178 C ATOM 28 O LIG 1 -0.679 3.234 3.005 0.00 0.00 -0.374 OA ATOM 29 C LIG 1 -1.855 2.544 3.458 0.00 0.00 +0.129 C ATOM 30 C LIG 1 -1.609 2.117 4.897 0.00 0.00 +0.039 C ATOM 31 C LIG 1 -2.167 1.325 2.569 0.00 0.00 +0.116 C ENDBRANCH 23 24 ENDBRANCH 20 23 ENDBRANCH 14 21 ENDBRANCH 1 14 BRANCH 7 32 ATOM 32 C LIG 1 3.576 -1.384 -3.121 0.00 0.00 +0.071 C BRANCH 32 33 ATOM 33 C LIG 1 3.569 -0.091 -3.902 0.00 0.00 -0.043 A ATOM 34 C LIG 1 4.742 0.362 -4.529 0.00 0.00 +0.007 A ATOM 35 C LIG 1 4.743 1.569 -5.235 0.00 0.00 +0.038 A ATOM 36 C LIG 1 3.576 2.322 -5.311 0.00 0.00 +0.123 A ATOM 37 F LIG 1 3.574 3.479 -5.992 0.00 0.00 -0.205 F ATOM 38 C LIG 1 2.404 1.888 -4.704 0.00 0.00 +0.038 A ATOM 39 C LIG 1 2.397 0.680 -4.006 0.00 0.00 +0.007 A ENDBRANCH 32 33 ENDBRANCH 7 32 TORSDOF 6