REMARK Name = BDB034446 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.963 1.900 0.085 0.00 0.00 +0.083 C ENDROOT BRANCH 1 2 ATOM 2 N LIG 1 -2.050 1.050 -0.395 0.00 0.00 -0.312 NA ATOM 3 H LIG 1 -1.879 0.758 -1.357 0.00 0.00 +0.122 HD BRANCH 2 4 ATOM 4 C LIG 1 -2.261 -0.135 0.433 0.00 0.00 +0.116 C BRANCH 4 7 ATOM 5 C LIG 1 -5.794 -1.196 -0.556 0.00 0.00 +0.130 A ATOM 6 C LIG 1 -4.722 -0.447 -0.067 0.00 0.00 +0.050 A ATOM 7 C LIG 1 -3.412 -0.959 -0.100 0.00 0.00 -0.030 A ATOM 8 C LIG 1 -3.189 -2.233 -0.638 0.00 0.00 +0.005 A ATOM 9 C LIG 1 -4.255 -2.985 -1.127 0.00 0.00 +0.004 A ATOM 10 C LIG 1 -5.550 -2.467 -1.083 0.00 0.00 +0.046 A BRANCH 5 11 ATOM 11 O LIG 1 -7.106 -0.818 -0.581 0.00 0.00 -0.406 OA BRANCH 11 13 ATOM 12 F LIG 1 -8.772 0.636 -0.174 0.00 0.00 -0.133 F ATOM 13 C LIG 1 -7.435 0.461 -0.068 0.00 0.00 +0.575 C ATOM 14 F LIG 1 -6.829 1.442 -0.769 0.00 0.00 -0.133 F ATOM 15 F LIG 1 -7.105 0.564 1.238 0.00 0.00 -0.133 F ENDBRANCH 11 13 ENDBRANCH 5 11 ENDBRANCH 4 7 ENDBRANCH 2 4 ENDBRANCH 1 2 BRANCH 1 16 ATOM 16 C LIG 1 0.428 1.351 -0.241 0.00 0.00 +0.034 C BRANCH 16 17 ATOM 17 C LIG 1 1.515 2.328 0.213 0.00 0.00 +0.103 C BRANCH 17 18 ATOM 18 N LIG 1 2.848 1.836 -0.127 0.00 0.00 -0.343 N ATOM 19 H LIG 1 2.973 1.746 -1.131 0.00 0.00 +0.146 HD BRANCH 18 20 ATOM 20 C LIG 1 3.481 0.799 0.580 0.00 0.00 +0.038 A ATOM 21 C LIG 1 4.689 0.222 0.083 0.00 0.00 +0.021 A ATOM 22 C LIG 1 5.298 -0.806 0.847 0.00 0.00 +0.074 A ATOM 23 C LIG 1 6.457 -1.409 0.384 0.00 0.00 +0.048 A ATOM 24 C LIG 1 7.050 -1.017 -0.812 0.00 0.00 +0.043 A ATOM 25 C LIG 1 6.490 0.000 -1.569 0.00 0.00 +0.021 A ATOM 26 CL LIG 1 8.491 -1.788 -1.350 0.00 0.00 -0.083 Cl ATOM 27 N LIG 1 4.811 -1.229 2.020 0.00 0.00 -0.255 NA ATOM 28 C LIG 1 3.711 -0.622 2.498 0.00 0.00 +0.113 A ATOM 29 C LIG 1 5.321 0.617 -1.124 0.00 0.00 +0.013 A ATOM 30 C LIG 1 3.034 0.384 1.836 0.00 0.00 +0.043 A ENDBRANCH 18 20 ENDBRANCH 17 18 ENDBRANCH 16 17 ENDBRANCH 1 16 TORSDOF 9