REMARK Name = BDB025253 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 5.140 1.556 0.190 0.00 0.00 +0.407 C ATOM 2 N LIG 1 4.395 0.370 0.064 0.00 0.00 -0.234 N ATOM 3 C LIG 1 5.051 -0.869 -0.423 0.00 0.00 +0.082 C ATOM 4 C LIG 1 6.037 -1.427 0.619 0.00 0.00 +0.028 C ATOM 5 C LIG 1 4.091 -2.010 -0.797 0.00 0.00 +0.027 C ATOM 6 C LIG 1 2.858 -1.469 -1.482 0.00 0.00 +0.041 C ATOM 7 C LIG 1 2.183 -0.535 -0.521 0.00 0.00 +0.002 A ATOM 8 C LIG 1 0.780 -0.505 -0.377 0.00 0.00 +0.096 A ATOM 9 N LIG 1 -0.166 -1.271 -1.003 0.00 0.00 -0.214 NA ATOM 10 C LIG 1 -1.338 -0.875 -0.557 0.00 0.00 +0.201 A ATOM 11 N LIG 1 -1.174 0.134 0.382 0.00 0.00 -0.308 N ATOM 12 C LIG 1 0.182 0.391 0.496 0.00 0.00 +0.071 A ATOM 13 C LIG 1 0.931 1.292 1.258 0.00 0.00 +0.030 A ATOM 14 C LIG 1 2.324 1.262 1.102 0.00 0.00 +0.026 A ATOM 15 C LIG 1 2.965 0.374 0.226 0.00 0.00 +0.045 A ATOM 16 O LIG 1 4.710 2.651 0.539 0.00 0.00 -0.226 OA ENDROOT BRANCH 11 17 ATOM 17 C LIG 1 -2.206 0.821 1.155 0.00 0.00 +0.091 C ATOM 18 C LIG 1 -3.111 1.719 0.289 0.00 0.00 +0.040 C ATOM 19 C LIG 1 -4.478 1.984 0.935 0.00 0.00 +0.100 C ATOM 20 C LIG 1 -4.390 2.006 2.462 0.00 0.00 +0.015 C ATOM 21 C LIG 1 -3.915 0.666 3.028 0.00 0.00 +0.003 C ATOM 22 C LIG 1 -3.001 -0.114 2.078 0.00 0.00 +0.025 C BRANCH 19 23 ATOM 23 C LIG 1 -5.073 3.257 0.381 0.00 0.00 +0.308 C ATOM 24 O LIG 1 -5.897 3.322 -0.517 0.00 0.00 -0.251 OA BRANCH 23 25 ATOM 25 O LIG 1 -4.568 4.376 0.928 0.00 0.00 -0.480 OA ATOM 26 H LIG 1 -5.022 5.104 0.452 0.00 0.00 +0.295 HD ENDBRANCH 23 25 ENDBRANCH 19 23 ENDBRANCH 11 17 BRANCH 1 28 ATOM 27 C LIG 1 7.245 2.572 -0.091 0.00 0.00 +0.282 C ATOM 28 O LIG 1 6.449 1.389 -0.172 0.00 0.00 -0.453 OA ENDBRANCH 1 28 BRANCH 10 29 ATOM 29 N LIG 1 -2.562 -1.329 -0.914 0.00 0.00 -0.283 N ATOM 30 H LIG 1 -3.403 -0.877 -0.576 0.00 0.00 +0.155 HD BRANCH 29 31 ATOM 31 C LIG 1 -2.884 -2.351 -1.839 0.00 0.00 +0.072 A ATOM 32 C LIG 1 -4.236 -2.616 -2.091 0.00 0.00 +0.162 A ATOM 33 F LIG 1 -5.184 -1.898 -1.466 0.00 0.00 -0.202 F ATOM 34 C LIG 1 -4.594 -3.614 -2.981 0.00 0.00 +0.150 A ATOM 35 N LIG 1 -3.698 -4.379 -3.642 0.00 0.00 -0.260 NA ATOM 36 C LIG 1 -2.396 -4.120 -3.389 0.00 0.00 +0.112 A ATOM 37 C LIG 1 -1.949 -3.138 -2.512 0.00 0.00 +0.046 A ENDBRANCH 29 31 ENDBRANCH 10 29 TORSDOF 6