REMARK Name = BDB018165 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.674 0.257 -1.798 0.00 0.00 +0.047 C ATOM 2 C LIG 1 0.353 -1.234 -1.745 0.00 0.00 +0.122 C ATOM 3 C LIG 1 -1.156 -1.458 -1.580 0.00 0.00 +0.198 C ATOM 4 C LIG 1 -1.343 -1.537 -0.051 0.00 0.00 +0.252 C ATOM 5 O LIG 1 -0.030 -1.634 0.551 0.00 0.00 -0.345 OA ATOM 6 C LIG 1 0.880 -1.984 -0.515 0.00 0.00 +0.188 C ENDROOT BRANCH 4 7 ATOM 7 N LIG 1 -2.074 -0.401 0.493 0.00 0.00 -0.303 N ATOM 8 C LIG 1 -3.407 -0.186 0.232 0.00 0.00 +0.148 A ATOM 9 C LIG 1 -3.796 0.969 0.895 0.00 0.00 +0.058 A ATOM 10 C LIG 1 -5.133 1.359 0.747 0.00 0.00 +0.129 A ATOM 11 N LIG 1 -5.950 0.604 -0.013 0.00 0.00 -0.220 NA ATOM 12 C LIG 1 -5.440 -0.491 -0.608 0.00 0.00 +0.225 A ATOM 13 C LIG 1 -2.646 1.459 1.575 0.00 0.00 +0.033 A ATOM 14 N LIG 1 -4.181 -0.965 -0.545 0.00 0.00 -0.218 NA ATOM 15 C LIG 1 -1.603 0.594 1.313 0.00 0.00 +0.091 A BRANCH 10 16 ATOM 16 N LIG 1 -5.679 2.481 1.352 0.00 0.00 -0.343 N ATOM 17 H LIG 1 -6.691 2.433 1.354 0.00 0.00 +0.144 HD ATOM 18 H LIG 1 -5.240 2.756 2.220 0.00 0.00 +0.144 HD ENDBRANCH 10 16 ENDBRANCH 4 7 BRANCH 3 19 ATOM 19 O LIG 1 -1.502 -2.713 -2.207 0.00 0.00 -0.384 OA ATOM 20 H LIG 1 -2.473 -2.799 -2.123 0.00 0.00 +0.210 HD ENDBRANCH 3 19 BRANCH 2 21 ATOM 21 O LIG 1 0.827 -1.823 -2.959 0.00 0.00 -0.383 OA ATOM 22 H LIG 1 0.197 -2.550 -3.158 0.00 0.00 +0.210 HD ENDBRANCH 2 21 BRANCH 6 23 ATOM 23 C LIG 1 2.376 -1.822 -0.149 0.00 0.00 +0.176 C BRANCH 23 24 ATOM 24 C LIG 1 2.821 -0.513 0.477 0.00 0.00 -0.016 A ATOM 25 C LIG 1 3.768 0.300 -0.172 0.00 0.00 +0.021 A ATOM 26 C LIG 1 4.204 1.507 0.402 0.00 0.00 +0.090 A ATOM 27 C LIG 1 3.693 1.882 1.640 0.00 0.00 +0.135 A ATOM 28 F LIG 1 4.091 3.027 2.210 0.00 0.00 -0.205 F ATOM 29 C LIG 1 2.773 1.085 2.311 0.00 0.00 +0.039 A ATOM 30 C LIG 1 2.344 -0.111 1.735 0.00 0.00 +0.009 A BRANCH 26 31 ATOM 31 C LIG 1 5.201 2.398 -0.276 0.00 0.00 +0.420 C ATOM 32 F LIG 1 6.333 2.584 0.456 0.00 0.00 -0.166 F ATOM 33 F LIG 1 4.709 3.639 -0.544 0.00 0.00 -0.166 F ATOM 34 F LIG 1 5.622 1.907 -1.478 0.00 0.00 -0.166 F ENDBRANCH 26 31 ENDBRANCH 23 24 BRANCH 23 35 ATOM 35 O LIG 1 2.740 -2.883 0.754 0.00 0.00 -0.384 OA ATOM 36 H LIG 1 3.514 -2.590 1.263 0.00 0.00 +0.210 HD ENDBRANCH 23 35 ENDBRANCH 6 23 TORSDOF 8