REMARK Name = BDB038379 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -3.565 0.825 -0.775 0.00 0.00 -0.032 A ATOM 2 C LIG 1 -3.483 2.236 -0.788 0.00 0.00 +0.017 A ATOM 3 C LIG 1 -2.253 2.905 -0.950 0.00 0.00 +0.061 A ATOM 4 C LIG 1 -1.113 2.122 -1.099 0.00 0.00 -0.006 A ATOM 5 C LIG 1 0.311 2.532 -1.291 0.00 0.00 +0.150 C ATOM 6 N LIG 1 1.030 1.269 -1.345 0.00 0.00 -0.263 N ATOM 7 C LIG 1 0.151 0.183 -1.268 0.00 0.00 +0.251 C ATOM 8 O LIG 1 0.349 -1.013 -1.352 0.00 0.00 -0.270 OA ATOM 9 C LIG 1 -1.198 0.736 -1.091 0.00 0.00 +0.043 A ATOM 10 C LIG 1 -2.396 0.065 -0.936 0.00 0.00 +0.018 A ENDROOT BRANCH 6 11 ATOM 11 C LIG 1 2.446 1.205 -1.454 0.00 0.00 +0.038 A ATOM 12 C LIG 1 3.145 -0.001 -1.293 0.00 0.00 +0.032 A ATOM 13 C LIG 1 4.549 -0.070 -1.390 0.00 0.00 -0.015 A ATOM 14 C LIG 1 5.256 1.104 -1.685 0.00 0.00 +0.008 A ATOM 15 C LIG 1 4.584 2.314 -1.838 0.00 0.00 +0.002 A ATOM 16 C LIG 1 3.194 2.364 -1.714 0.00 0.00 +0.023 A BRANCH 13 17 ATOM 17 C LIG 1 5.263 -1.349 -1.201 0.00 0.00 -0.007 A ATOM 18 C LIG 1 5.235 -2.081 0.010 0.00 0.00 +0.027 A ATOM 19 C LIG 1 5.895 -3.321 0.091 0.00 0.00 +0.012 A ATOM 20 C LIG 1 6.610 -3.825 -0.997 0.00 0.00 +0.001 A ATOM 21 C LIG 1 6.664 -3.103 -2.184 0.00 0.00 +0.001 A ATOM 22 C LIG 1 5.993 -1.882 -2.285 0.00 0.00 +0.009 A BRANCH 18 23 ATOM 23 C LIG 1 4.547 -1.609 1.210 0.00 0.00 +0.164 A ATOM 24 N LIG 1 4.943 -0.562 2.006 0.00 0.00 -0.317 N ATOM 25 C LIG 1 6.120 0.253 1.872 0.00 0.00 +0.152 C ATOM 26 C LIG 1 4.042 -0.490 3.023 0.00 0.00 +0.225 A ATOM 27 N LIG 1 3.158 -1.448 2.895 0.00 0.00 -0.138 NA ATOM 28 N LIG 1 3.486 -2.164 1.767 0.00 0.00 -0.129 NA ENDBRANCH 18 23 ENDBRANCH 13 17 ENDBRANCH 6 11 BRANCH 3 29 ATOM 29 C LIG 1 -2.166 4.406 -0.974 0.00 0.00 +0.418 C ATOM 30 F LIG 1 -1.697 4.873 -2.163 0.00 0.00 -0.166 F ATOM 31 F LIG 1 -1.315 4.889 -0.028 0.00 0.00 -0.166 F ATOM 32 F LIG 1 -3.357 5.029 -0.766 0.00 0.00 -0.166 F ENDBRANCH 3 29 BRANCH 1 33 ATOM 33 C LIG 1 -4.906 0.135 -0.609 0.00 0.00 +0.119 C BRANCH 33 39 ATOM 34 C LIG 1 -8.505 -1.943 1.470 0.00 0.00 +0.039 C ATOM 35 C LIG 1 -7.250 -1.083 1.510 0.00 0.00 +0.129 C ATOM 36 O LIG 1 -6.788 -1.057 2.870 0.00 0.00 -0.374 OA ATOM 37 C LIG 1 -5.365 -0.910 2.982 0.00 0.00 +0.175 C ATOM 38 C LIG 1 -4.763 -0.109 1.820 0.00 0.00 +0.113 C ATOM 39 N LIG 1 -4.942 -0.799 0.523 0.00 0.00 -0.294 NA ATOM 40 C LIG 1 -6.180 -1.609 0.529 0.00 0.00 +0.116 C ENDBRANCH 33 39 ENDBRANCH 1 33 TORSDOF 6