REMARK Name = BDB034537 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.415 -0.076 -0.051 0.00 0.00 +0.098 C ENDROOT BRANCH 1 3 ATOM 2 O LIG 1 0.002 2.286 -0.247 0.00 0.00 -0.276 OA ATOM 3 C LIG 1 0.457 1.171 0.004 0.00 0.00 +0.216 C ATOM 4 N LIG 1 1.789 0.977 0.337 0.00 0.00 -0.298 N ATOM 5 C LIG 1 2.698 2.128 0.357 0.00 0.00 +0.126 C ATOM 6 C LIG 1 4.096 1.800 -0.200 0.00 0.00 +0.127 C ATOM 7 N LIG 1 4.661 0.592 0.410 0.00 0.00 -0.297 N ATOM 8 C LIG 1 3.801 -0.231 1.256 0.00 0.00 +0.127 C ATOM 9 C LIG 1 2.387 -0.327 0.654 0.00 0.00 +0.126 C BRANCH 7 10 ATOM 10 C LIG 1 6.023 0.541 0.611 0.00 0.00 +0.218 A ATOM 11 N LIG 1 6.814 1.385 -0.073 0.00 0.00 -0.222 NA ATOM 12 C LIG 1 8.146 1.308 0.124 0.00 0.00 +0.128 A ATOM 13 C LIG 1 8.735 0.420 0.987 0.00 0.00 +0.091 A ATOM 14 C LIG 1 7.860 -0.411 1.636 0.00 0.00 +0.128 A ATOM 15 N LIG 1 6.522 -0.367 1.467 0.00 0.00 -0.222 NA BRANCH 13 16 ATOM 16 C LIG 1 10.203 0.335 1.171 0.00 0.00 +0.420 C ATOM 17 F LIG 1 10.560 -0.017 2.437 0.00 0.00 -0.166 F ATOM 18 F LIG 1 10.845 1.508 0.918 0.00 0.00 -0.166 F ATOM 19 F LIG 1 10.777 -0.588 0.352 0.00 0.00 -0.166 F ENDBRANCH 13 16 ENDBRANCH 7 10 ENDBRANCH 1 3 BRANCH 1 20 ATOM 20 C LIG 1 -1.855 0.246 -0.456 0.00 0.00 +0.031 C BRANCH 20 21 ATOM 21 C LIG 1 -2.750 -1.004 -0.524 0.00 0.00 +0.075 C ATOM 22 N LIG 1 -4.168 -0.584 -0.677 0.00 0.00 -0.311 N ATOM 23 C LIG 1 -4.701 -0.719 -2.030 0.00 0.00 +0.107 C ATOM 24 C LIG 1 -4.722 -2.196 -2.420 0.00 0.00 +0.019 C ATOM 25 C LIG 1 -3.440 -2.930 -2.018 0.00 0.00 +0.003 C ATOM 26 C LIG 1 -2.321 -1.956 -1.662 0.00 0.00 +0.022 C BRANCH 22 27 ATOM 27 C LIG 1 -4.917 -0.245 0.453 0.00 0.00 +0.143 A ATOM 28 N LIG 1 -4.372 -0.410 1.636 0.00 0.00 -0.156 NA ATOM 29 N LIG 1 -5.088 -0.096 2.748 0.00 0.00 -0.241 N ATOM 30 H LIG 1 -4.627 -0.248 3.639 0.00 0.00 +0.192 HD ATOM 31 C LIG 1 -6.368 0.383 2.774 0.00 0.00 +0.277 A ATOM 32 O LIG 1 -6.953 0.618 3.824 0.00 0.00 -0.266 OA ATOM 33 C LIG 1 -6.986 0.600 1.463 0.00 0.00 +0.124 A ATOM 34 C LIG 1 -6.301 0.304 0.351 0.00 0.00 +0.063 A BRANCH 33 35 ATOM 35 C LIG 1 -8.352 1.159 1.498 0.00 0.00 +0.423 C ATOM 36 F LIG 1 -8.414 2.377 2.092 0.00 0.00 -0.166 F ATOM 37 F LIG 1 -8.845 1.339 0.237 0.00 0.00 -0.166 F ATOM 38 F LIG 1 -9.241 0.346 2.124 0.00 0.00 -0.166 F ENDBRANCH 33 35 ENDBRANCH 22 27 ENDBRANCH 20 21 ENDBRANCH 1 20 TORSDOF 7