REMARK Name = BDB025072 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 5.732 -0.571 -1.350 0.00 0.00 +0.407 C ATOM 2 N LIG 1 4.712 -1.151 -0.575 0.00 0.00 -0.234 N ATOM 3 C LIG 1 4.869 -2.533 -0.058 0.00 0.00 +0.082 C ATOM 4 C LIG 1 5.947 -2.600 1.040 0.00 0.00 +0.028 C ATOM 5 C LIG 1 3.592 -3.160 0.523 0.00 0.00 +0.027 C ATOM 6 C LIG 1 2.387 -2.785 -0.307 0.00 0.00 +0.041 C ATOM 7 C LIG 1 2.272 -1.290 -0.283 0.00 0.00 +0.002 A ATOM 8 C LIG 1 1.022 -0.645 -0.164 0.00 0.00 +0.094 A ATOM 9 N LIG 1 -0.222 -1.202 -0.018 0.00 0.00 -0.232 NA ATOM 10 C LIG 1 -1.071 -0.198 0.065 0.00 0.00 +0.111 A ATOM 11 N LIG 1 -0.408 1.011 -0.061 0.00 0.00 -0.324 N ATOM 12 C LIG 1 0.941 0.741 -0.181 0.00 0.00 +0.069 A ATOM 13 C LIG 1 2.077 1.544 -0.306 0.00 0.00 +0.030 A ATOM 14 C LIG 1 3.314 0.896 -0.428 0.00 0.00 +0.026 A ATOM 15 C LIG 1 3.436 -0.501 -0.427 0.00 0.00 +0.045 A ATOM 16 O LIG 1 5.712 0.542 -1.865 0.00 0.00 -0.226 OA ENDROOT BRANCH 11 17 ATOM 17 C LIG 1 -1.031 2.333 -0.029 0.00 0.00 +0.090 C ATOM 18 C LIG 1 -0.690 3.091 1.266 0.00 0.00 +0.039 C ATOM 19 C LIG 1 -1.427 4.439 1.362 0.00 0.00 +0.100 C ATOM 20 C LIG 1 -1.530 5.173 0.018 0.00 0.00 +0.015 C ATOM 21 C LIG 1 -0.546 4.646 -1.020 0.00 0.00 +0.003 C ATOM 22 C LIG 1 -0.770 3.162 -1.304 0.00 0.00 +0.025 C BRANCH 19 23 ATOM 23 C LIG 1 -2.819 4.249 1.941 0.00 0.00 +0.308 C ATOM 24 O LIG 1 -3.461 3.212 1.876 0.00 0.00 -0.251 OA BRANCH 23 25 ATOM 25 O LIG 1 -3.310 5.367 2.521 0.00 0.00 -0.480 OA ATOM 26 H LIG 1 -2.706 6.133 2.502 0.00 0.00 +0.295 HD ENDBRANCH 23 25 ENDBRANCH 19 23 ENDBRANCH 11 17 BRANCH 1 28 ATOM 27 C LIG 1 7.847 -0.889 -2.336 0.00 0.00 +0.282 C ATOM 28 O LIG 1 6.793 -1.416 -1.528 0.00 0.00 -0.453 OA ENDBRANCH 1 28 BRANCH 10 29 ATOM 29 C LIG 1 -2.552 -0.320 0.278 0.00 0.00 +0.075 C BRANCH 29 30 ATOM 30 C LIG 1 -3.007 -1.772 0.464 0.00 0.00 +0.011 C BRANCH 30 31 ATOM 31 C LIG 1 -4.487 -1.902 0.891 0.00 0.00 -0.006 C ATOM 32 C LIG 1 -4.858 -3.383 1.112 0.00 0.00 +0.031 C ATOM 33 C LIG 1 -5.660 -3.976 -0.046 0.00 0.00 +0.160 C ATOM 34 O LIG 1 -5.219 -3.439 -1.287 0.00 0.00 -0.380 OA ATOM 35 C LIG 1 -5.510 -2.048 -1.426 0.00 0.00 +0.160 C ATOM 36 C LIG 1 -5.471 -1.281 -0.105 0.00 0.00 +0.031 C ENDBRANCH 30 31 ENDBRANCH 29 30 ENDBRANCH 10 29 TORSDOF 7