REMARK Name = BDB032146 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.521 -1.139 1.379 0.00 0.00 -0.007 A ATOM 2 C LIG 1 2.232 0.061 1.219 0.00 0.00 +0.020 A ATOM 3 C LIG 1 3.510 -0.010 0.693 0.00 0.00 +0.045 A ATOM 4 C LIG 1 4.470 1.069 0.441 0.00 0.00 +0.248 C ATOM 5 N LIG 1 5.593 0.482 -0.121 0.00 0.00 -0.282 N ATOM 6 C LIG 1 5.479 -0.971 -0.205 0.00 0.00 +0.147 C ATOM 7 O LIG 1 4.296 2.239 0.720 0.00 0.00 -0.270 OA ATOM 8 C LIG 1 4.108 -1.208 0.321 0.00 0.00 +0.017 A ATOM 9 C LIG 1 3.414 -2.386 0.468 0.00 0.00 +0.129 A ATOM 10 F LIG 1 3.972 -3.551 0.118 0.00 0.00 -0.205 F ATOM 11 C LIG 1 2.120 -2.360 0.991 0.00 0.00 +0.045 A ENDROOT BRANCH 5 12 ATOM 12 C LIG 1 6.836 1.218 -0.338 0.00 0.00 +0.163 C ATOM 13 C LIG 1 7.678 0.726 -1.526 0.00 0.00 +0.240 C ATOM 14 O LIG 1 7.238 0.052 -2.454 0.00 0.00 -0.273 OA ATOM 15 N LIG 1 8.996 1.123 -1.529 0.00 0.00 -0.255 N ATOM 16 H LIG 1 9.548 0.793 -2.310 0.00 0.00 +0.158 HD ATOM 17 C LIG 1 9.713 1.639 -0.479 0.00 0.00 +0.219 C ATOM 18 O LIG 1 10.934 1.747 -0.540 0.00 0.00 -0.275 OA ATOM 19 C LIG 1 8.919 2.093 0.721 0.00 0.00 +0.098 C ATOM 20 C LIG 1 7.692 1.221 0.930 0.00 0.00 +0.041 C ENDBRANCH 5 12 BRANCH 1 21 ATOM 21 C LIG 1 0.113 -1.120 1.919 0.00 0.00 +0.269 C BRANCH 21 22 ATOM 22 O LIG 1 -0.764 -0.862 0.821 0.00 0.00 -0.445 OA BRANCH 22 25 ATOM 23 N LIG 1 -2.804 -0.562 0.044 0.00 0.00 -0.251 N ATOM 24 H LIG 1 -2.238 -0.458 -0.787 0.00 0.00 +0.158 HD ATOM 25 C LIG 1 -2.077 -0.822 1.170 0.00 0.00 +0.405 C ATOM 26 O LIG 1 -2.482 -0.997 2.309 0.00 0.00 -0.226 OA BRANCH 23 32 ATOM 27 C LIG 1 -8.751 1.572 -0.645 0.00 0.00 +0.019 C ATOM 28 C LIG 1 -8.326 0.136 -0.974 0.00 0.00 +0.028 C ATOM 29 C LIG 1 -6.941 -0.126 -0.480 0.00 0.00 +0.003 A ATOM 30 C LIG 1 -6.053 -0.026 -1.540 0.00 0.00 +0.126 A ATOM 31 C LIG 1 -4.689 -0.159 -1.373 0.00 0.00 +0.069 A ATOM 32 C LIG 1 -4.197 -0.425 -0.089 0.00 0.00 +0.040 A ATOM 33 C LIG 1 -5.096 -0.538 0.987 0.00 0.00 +0.024 A ATOM 34 O LIG 1 -6.656 0.239 -2.744 0.00 0.00 -0.491 OA ATOM 35 C LIG 1 -6.476 -0.383 0.796 0.00 0.00 +0.009 A ATOM 36 C LIG 1 -8.056 -0.036 -2.484 0.00 0.00 +0.240 C ATOM 37 C LIG 1 -9.368 -0.862 -0.472 0.00 0.00 +0.019 C ENDBRANCH 23 32 ENDBRANCH 22 25 ENDBRANCH 21 22 ENDBRANCH 1 21 TORSDOF 5