REMARK Name = BDB007786 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 O LIG 1 -0.757 0.241 -2.353 0.00 0.00 -0.270 OA ATOM 2 C LIG 1 -0.197 0.212 -1.262 0.00 0.00 +0.244 C ATOM 3 N LIG 1 -0.854 0.653 -0.138 0.00 0.00 -0.309 N ATOM 4 H LIG 1 -1.774 1.023 -0.383 0.00 0.00 +0.149 HD ENDROOT BRANCH 2 5 ATOM 5 C LIG 1 1.185 -0.303 -1.146 0.00 0.00 +0.041 A ATOM 6 C LIG 1 2.100 0.277 -0.266 0.00 0.00 +0.056 A ATOM 7 C LIG 1 3.393 -0.226 -0.213 0.00 0.00 +0.119 A ATOM 8 N LIG 1 3.784 -1.244 -1.005 0.00 0.00 -0.240 NA ATOM 9 C LIG 1 2.888 -1.772 -1.868 0.00 0.00 +0.113 A ATOM 10 C LIG 1 1.585 -1.339 -1.980 0.00 0.00 +0.033 A BRANCH 7 11 ATOM 11 N LIG 1 4.304 0.386 0.666 0.00 0.00 -0.328 N ATOM 12 H LIG 1 3.893 0.400 1.595 0.00 0.00 +0.147 HD BRANCH 11 13 ATOM 13 C LIG 1 5.653 -0.185 0.681 0.00 0.00 +0.118 C BRANCH 13 14 ATOM 14 C LIG 1 6.512 0.336 -0.495 0.00 0.00 +0.100 C BRANCH 14 15 ATOM 15 N LIG 1 7.882 -0.196 -0.553 0.00 0.00 -0.307 NA ATOM 16 H LIG 1 7.863 -1.216 -0.492 0.00 0.00 +0.122 HD BRANCH 15 17 ATOM 17 C LIG 1 8.773 0.367 0.484 0.00 0.00 +0.195 C BRANCH 17 18 ATOM 18 C LIG 1 10.218 -0.172 0.488 0.00 0.00 +0.402 C ATOM 19 F LIG 1 10.916 0.358 1.520 0.00 0.00 -0.169 F ATOM 20 F LIG 1 10.230 -1.517 0.641 0.00 0.00 -0.169 F ATOM 21 F LIG 1 10.879 0.127 -0.649 0.00 0.00 -0.169 F ENDBRANCH 17 18 ENDBRANCH 15 17 ENDBRANCH 14 15 ENDBRANCH 13 14 ENDBRANCH 11 13 ENDBRANCH 7 11 ENDBRANCH 2 5 BRANCH 3 22 ATOM 22 C LIG 1 -0.877 -0.072 1.133 0.00 0.00 +0.137 C BRANCH 22 23 ATOM 23 C LIG 1 -2.064 -1.058 1.220 0.00 0.00 +0.145 C BRANCH 23 24 ATOM 24 O LIG 1 -2.016 -1.984 0.133 0.00 0.00 -0.389 OA ATOM 25 H LIG 1 -2.031 -1.443 -0.680 0.00 0.00 +0.210 HD ENDBRANCH 23 24 BRANCH 23 26 ATOM 26 C LIG 1 -3.444 -0.354 1.306 0.00 0.00 +0.117 C BRANCH 26 27 ATOM 27 N LIG 1 -3.728 0.543 0.162 0.00 0.00 -0.295 NA ATOM 28 C LIG 1 -4.500 -0.134 -0.906 0.00 0.00 +0.120 C ATOM 29 C LIG 1 -5.981 -0.305 -0.628 0.00 0.00 -0.030 A ATOM 30 C LIG 1 -6.641 0.499 0.317 0.00 0.00 -0.042 A ATOM 31 C LIG 1 -8.017 0.338 0.530 0.00 0.00 +0.004 A ATOM 32 C LIG 1 -8.738 -0.601 -0.207 0.00 0.00 +0.000 A ATOM 33 C LIG 1 -8.091 -1.386 -1.158 0.00 0.00 +0.000 A ATOM 34 C LIG 1 -5.863 1.490 1.143 0.00 0.00 +0.051 C ATOM 35 C LIG 1 -6.720 -1.238 -1.370 0.00 0.00 +0.005 A ATOM 36 C LIG 1 -4.463 1.756 0.573 0.00 0.00 +0.089 C ENDBRANCH 26 27 ENDBRANCH 23 26 ENDBRANCH 22 23 ENDBRANCH 3 22 TORSDOF 12