REMARK Name = BDB019011 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -3.759 -2.122 -1.231 0.00 0.00 +0.080 C ATOM 2 C LIG 1 -2.259 -2.035 -0.868 0.00 0.00 +0.053 C ATOM 3 C LIG 1 -1.904 -0.738 -0.227 0.00 0.00 +0.016 A ATOM 4 C LIG 1 -0.718 -0.304 0.424 0.00 0.00 +0.151 A ATOM 5 N LIG 1 -0.813 0.988 0.753 0.00 0.00 -0.155 NA ATOM 6 N LIG 1 -2.043 1.373 0.364 0.00 0.00 -0.263 N ATOM 7 C LIG 1 -2.731 0.368 -0.258 0.00 0.00 +0.045 A ATOM 8 C LIG 1 -4.094 0.415 -0.848 0.00 0.00 +0.056 C ATOM 9 C LIG 1 -4.300 -0.785 -1.792 0.00 0.00 +0.019 C ENDROOT BRANCH 4 10 ATOM 10 N LIG 1 0.378 -1.092 0.646 0.00 0.00 -0.283 N ATOM 11 C LIG 1 1.726 -0.716 0.402 0.00 0.00 +0.039 A ATOM 12 C LIG 1 2.806 -1.366 1.028 0.00 0.00 -0.025 A ATOM 13 C LIG 1 4.129 -0.994 0.731 0.00 0.00 +0.014 A ATOM 14 C LIG 1 4.412 0.043 -0.169 0.00 0.00 -0.006 A ATOM 15 C LIG 1 3.352 0.709 -0.802 0.00 0.00 +0.027 A ATOM 16 C LIG 1 2.577 -2.475 2.019 0.00 0.00 +0.038 C ATOM 17 C LIG 1 1.165 -2.422 2.573 0.00 0.00 +0.024 C ATOM 18 C LIG 1 2.031 0.321 -0.500 0.00 0.00 +0.033 A ATOM 19 C LIG 1 0.181 -2.325 1.418 0.00 0.00 +0.113 C BRANCH 14 20 ATOM 20 C LIG 1 5.797 0.389 -0.415 0.00 0.00 +0.020 A ATOM 21 C LIG 1 6.736 -0.481 -0.926 0.00 0.00 +0.116 A ATOM 22 N LIG 1 7.901 0.226 -1.006 0.00 0.00 -0.274 N ATOM 23 C LIG 1 9.177 -0.251 -1.480 0.00 0.00 +0.172 C ATOM 24 N LIG 1 7.785 1.498 -0.586 0.00 0.00 -0.179 NA ATOM 25 C LIG 1 6.505 1.594 -0.214 0.00 0.00 +0.142 A ENDBRANCH 14 20 BRANCH 15 26 ATOM 26 C LIG 1 3.580 1.826 -1.787 0.00 0.00 +0.372 C ATOM 27 F LIG 1 2.478 2.125 -2.537 0.00 0.00 -0.204 F ATOM 28 F LIG 1 3.933 2.995 -1.181 0.00 0.00 -0.204 F ENDBRANCH 15 26 ENDBRANCH 4 10 BRANCH 6 29 ATOM 29 C LIG 1 -2.415 2.767 0.589 0.00 0.00 +0.112 C ATOM 30 C LIG 1 -3.725 2.939 1.371 0.00 0.00 +0.055 C ATOM 31 C LIG 1 -4.547 4.096 0.825 0.00 0.00 +0.162 C ATOM 32 O LIG 1 -3.702 5.219 0.609 0.00 0.00 -0.380 OA ATOM 33 C LIG 1 -2.751 5.036 -0.439 0.00 0.00 +0.162 C ATOM 34 C LIG 1 -2.387 3.580 -0.706 0.00 0.00 +0.055 C ENDBRANCH 6 29 BRANCH 1 38 ATOM 35 C LIG 1 -5.026 -4.554 1.401 0.00 0.00 +0.128 C ATOM 36 N LIG 1 -4.258 -3.898 0.371 0.00 0.00 -0.318 N ATOM 37 H LIG 1 -3.697 -4.477 -0.238 0.00 0.00 +0.148 HD ATOM 38 C LIG 1 -4.601 -2.630 -0.059 0.00 0.00 +0.216 C ATOM 39 O LIG 1 -5.527 -1.996 0.436 0.00 0.00 -0.276 OA ENDBRANCH 1 38 TORSDOF 5