REMARK Name = BDB019649 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.026 0.481 1.706 0.00 0.00 +0.126 A ATOM 2 N LIG 1 -0.185 1.526 0.845 0.00 0.00 -0.242 NA ATOM 3 C LIG 1 -1.351 1.597 0.164 0.00 0.00 +0.074 A ATOM 4 C LIG 1 -2.367 0.657 0.336 0.00 0.00 +0.033 A ATOM 5 C LIG 1 -2.191 -0.405 1.234 0.00 0.00 -0.026 A ATOM 6 C LIG 1 -0.985 -0.496 1.928 0.00 0.00 +0.038 A ENDROOT BRANCH 3 7 ATOM 7 C LIG 1 -1.481 2.732 -0.760 0.00 0.00 +0.022 A ATOM 8 C LIG 1 -0.548 3.006 -1.778 0.00 0.00 +0.050 A ATOM 9 C LIG 1 0.662 2.140 -2.004 0.00 0.00 +0.066 C ATOM 10 N LIG 1 -0.664 4.062 -2.630 0.00 0.00 -0.224 NA ATOM 11 C LIG 1 -1.729 4.870 -2.481 0.00 0.00 +0.213 A ATOM 12 F LIG 1 -1.843 5.910 -3.319 0.00 0.00 -0.184 F ATOM 13 C LIG 1 -2.703 4.689 -1.521 0.00 0.00 +0.060 A ATOM 14 C LIG 1 -2.575 3.609 -0.653 0.00 0.00 +0.016 A ENDBRANCH 3 7 BRANCH 1 17 ATOM 15 N LIG 1 2.133 1.469 2.128 0.00 0.00 -0.306 N ATOM 16 H LIG 1 1.799 2.120 1.422 0.00 0.00 +0.149 HD ATOM 17 C LIG 1 1.296 0.411 2.407 0.00 0.00 +0.263 C ATOM 18 O LIG 1 1.584 -0.527 3.140 0.00 0.00 -0.269 OA BRANCH 15 19 ATOM 19 C LIG 1 3.525 1.477 2.495 0.00 0.00 +0.140 C BRANCH 19 24 ATOM 20 C LIG 1 5.357 -0.687 -0.007 0.00 0.00 +0.215 A ATOM 21 N LIG 1 5.896 0.197 -0.874 0.00 0.00 -0.221 NA ATOM 22 C LIG 1 5.662 1.503 -0.628 0.00 0.00 +0.115 A ATOM 23 C LIG 1 4.917 1.968 0.444 0.00 0.00 +0.025 A ATOM 24 C LIG 1 4.376 1.038 1.335 0.00 0.00 -0.024 A ATOM 25 C LIG 1 4.598 -0.321 1.093 0.00 0.00 +0.072 A BRANCH 20 27 ATOM 26 C LIG 1 6.343 -2.340 -1.335 0.00 0.00 +0.279 C ATOM 27 O LIG 1 5.543 -2.042 -0.197 0.00 0.00 -0.480 OA ENDBRANCH 20 27 ENDBRANCH 19 24 ENDBRANCH 15 19 ENDBRANCH 1 17 BRANCH 5 28 ATOM 28 C LIG 1 -3.271 -1.443 1.407 0.00 0.00 +0.139 C BRANCH 28 29 ATOM 29 N LIG 1 -3.289 -2.302 0.239 0.00 0.00 -0.313 N ATOM 30 H LIG 1 -2.380 -2.693 0.023 0.00 0.00 +0.149 HD BRANCH 29 31 ATOM 31 C LIG 1 -4.281 -3.207 0.093 0.00 0.00 +0.176 C ATOM 32 N LIG 1 -4.063 -4.107 -0.900 0.00 0.00 -0.316 N ATOM 33 H LIG 1 -3.660 -3.700 -1.735 0.00 0.00 +0.149 HD ATOM 34 C LIG 1 -5.313 -4.811 -1.109 0.00 0.00 +0.127 C ATOM 35 C LIG 1 -6.077 -4.466 0.173 0.00 0.00 +0.163 C ATOM 36 N LIG 1 -5.392 -3.282 0.762 0.00 0.00 -0.255 NA ENDBRANCH 29 31 ENDBRANCH 28 29 ENDBRANCH 5 28 TORSDOF 8