REMARK Name = BDB016190 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.198 -0.567 -1.620 0.00 0.00 +0.246 C ATOM 2 N LIG 1 1.142 -0.361 -1.889 0.00 0.00 -0.307 N ATOM 3 H LIG 1 1.516 0.573 -1.804 0.00 0.00 +0.149 HD ATOM 4 O LIG 1 -0.668 -1.677 -1.393 0.00 0.00 -0.270 OA ENDROOT BRANCH 1 18 ATOM 5 C LIG 1 -2.731 -1.555 2.240 0.00 0.00 +0.028 C ATOM 6 C LIG 1 -2.953 -0.237 1.495 0.00 0.00 +0.076 C ATOM 7 N LIG 1 -2.460 -0.385 0.141 0.00 0.00 -0.339 N ATOM 8 H LIG 1 -1.829 -1.179 -0.022 0.00 0.00 +0.146 HD ATOM 9 C LIG 1 -2.134 0.745 -0.617 0.00 0.00 +0.061 A ATOM 10 C LIG 1 -2.847 1.965 -0.547 0.00 0.00 +0.055 A ATOM 11 C LIG 1 -2.475 3.038 -1.384 0.00 0.00 +0.025 A ATOM 12 C LIG 1 -1.438 2.928 -2.305 0.00 0.00 +0.003 A ATOM 13 C LIG 1 -0.728 1.741 -2.389 0.00 0.00 +0.015 A ATOM 14 N LIG 1 -3.940 2.262 0.295 0.00 0.00 -0.284 N ATOM 15 H LIG 1 -4.302 3.207 0.247 0.00 0.00 +0.155 HD ATOM 16 C LIG 1 -4.661 1.540 1.188 0.00 0.00 +0.219 C ATOM 17 O LIG 1 -5.574 2.122 1.788 0.00 0.00 -0.275 OA ATOM 18 C LIG 1 -1.050 0.664 -1.545 0.00 0.00 +0.059 A ATOM 19 C LIG 1 -4.429 0.080 1.417 0.00 0.00 +0.118 C ENDBRANCH 1 18 BRANCH 2 20 ATOM 20 C LIG 1 2.100 -1.442 -1.799 0.00 0.00 +0.143 C BRANCH 20 21 ATOM 21 C LIG 1 2.710 -1.512 -0.418 0.00 0.00 +0.012 A ATOM 22 C LIG 1 3.837 -0.745 -0.060 0.00 0.00 +0.135 A ATOM 23 C LIG 1 4.345 -0.840 1.241 0.00 0.00 +0.046 A ATOM 24 C LIG 1 3.738 -1.677 2.182 0.00 0.00 +0.004 A ATOM 25 C LIG 1 2.617 -2.423 1.836 0.00 0.00 +0.001 A ATOM 26 C LIG 1 2.103 -2.339 0.545 0.00 0.00 +0.009 A BRANCH 22 27 ATOM 27 O LIG 1 4.345 0.057 -1.046 0.00 0.00 -0.405 OA BRANCH 27 28 ATOM 28 C LIG 1 5.505 0.820 -0.760 0.00 0.00 +0.575 C ATOM 29 F LIG 1 6.545 0.028 -0.426 0.00 0.00 -0.133 F ATOM 30 F LIG 1 5.271 1.708 0.229 0.00 0.00 -0.133 F ATOM 31 F LIG 1 5.844 1.513 -1.871 0.00 0.00 -0.133 F ENDBRANCH 27 28 ENDBRANCH 22 27 ENDBRANCH 20 21 ENDBRANCH 2 20 TORSDOF 5