REMARK Name = BDB046586 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.658 1.357 -1.271 0.00 0.00 +0.244 C ATOM 2 N LIG 1 1.578 1.900 -0.400 0.00 0.00 -0.307 N ATOM 3 H LIG 1 1.573 1.593 0.562 0.00 0.00 +0.149 HD ATOM 4 O LIG 1 0.752 1.428 -2.491 0.00 0.00 -0.270 OA ENDROOT BRANCH 1 8 ATOM 5 C LIG 1 -2.638 -0.821 0.434 0.00 0.00 -0.047 A ATOM 6 C LIG 1 -2.146 -1.132 -0.841 0.00 0.00 +0.004 A ATOM 7 C LIG 1 -1.077 -0.413 -1.383 0.00 0.00 +0.013 A ATOM 8 C LIG 1 -0.478 0.618 -0.653 0.00 0.00 +0.037 A ATOM 9 C LIG 1 -0.972 0.941 0.616 0.00 0.00 +0.013 A ATOM 10 C LIG 1 -2.043 0.222 1.156 0.00 0.00 +0.004 A BRANCH 5 11 ATOM 11 C LIG 1 -3.802 -1.594 1.009 0.00 0.00 +0.049 C BRANCH 11 12 ATOM 12 C LIG 1 -5.151 -1.252 0.355 0.00 0.00 +0.102 C BRANCH 12 14 ATOM 13 C LIG 1 -5.857 0.595 2.041 0.00 0.00 +0.004 C ATOM 14 C LIG 1 -5.673 0.177 0.589 0.00 0.00 +0.011 C ENDBRANCH 12 14 BRANCH 12 15 ATOM 15 C LIG 1 -6.212 -2.290 0.679 0.00 0.00 +0.308 C ATOM 16 O LIG 1 -6.917 -2.808 -0.175 0.00 0.00 -0.251 OA BRANCH 15 17 ATOM 17 O LIG 1 -6.351 -2.594 1.986 0.00 0.00 -0.480 OA ATOM 18 H LIG 1 -5.782 -2.097 2.600 0.00 0.00 +0.295 HD ENDBRANCH 15 17 ENDBRANCH 12 15 ENDBRANCH 11 12 ENDBRANCH 5 11 ENDBRANCH 1 8 BRANCH 2 19 ATOM 19 C LIG 1 2.798 2.510 -0.880 0.00 0.00 +0.139 C BRANCH 19 20 ATOM 20 C LIG 1 3.952 1.545 -0.783 0.00 0.00 -0.030 A ATOM 21 C LIG 1 4.840 1.591 0.299 0.00 0.00 +0.009 A ATOM 22 C LIG 1 5.898 0.679 0.397 0.00 0.00 +0.046 A ATOM 23 C LIG 1 6.079 -0.297 -0.584 0.00 0.00 +0.130 A ATOM 24 C LIG 1 5.189 -0.349 -1.661 0.00 0.00 +0.046 A ATOM 25 C LIG 1 4.134 0.560 -1.760 0.00 0.00 +0.009 A BRANCH 23 26 ATOM 26 O LIG 1 7.060 -1.246 -0.616 0.00 0.00 -0.406 OA BRANCH 26 27 ATOM 27 C LIG 1 7.998 -1.262 0.444 0.00 0.00 +0.575 C ATOM 28 F LIG 1 7.391 -1.482 1.631 0.00 0.00 -0.133 F ATOM 29 F LIG 1 8.692 -0.104 0.501 0.00 0.00 -0.133 F ATOM 30 F LIG 1 8.877 -2.266 0.231 0.00 0.00 -0.133 F ENDBRANCH 26 27 ENDBRANCH 23 26 ENDBRANCH 19 20 ENDBRANCH 2 19 TORSDOF 10