REMARK Name = BDB040275 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.244 0.318 0.780 0.00 0.00 -0.032 A ATOM 2 C LIG 1 -2.481 -0.725 1.711 0.00 0.00 +0.017 A ATOM 3 C LIG 1 -1.460 -1.603 2.121 0.00 0.00 +0.061 A ATOM 4 C LIG 1 -0.196 -1.408 1.573 0.00 0.00 -0.006 A ATOM 5 C LIG 1 1.070 -2.168 1.801 0.00 0.00 +0.150 C ATOM 6 N LIG 1 2.034 -1.492 0.944 0.00 0.00 -0.263 N ATOM 7 C LIG 1 1.445 -0.426 0.255 0.00 0.00 +0.251 C ATOM 8 O LIG 1 1.902 0.365 -0.551 0.00 0.00 -0.270 OA ATOM 9 C LIG 1 0.034 -0.383 0.663 0.00 0.00 +0.043 A ATOM 10 C LIG 1 -0.957 0.490 0.252 0.00 0.00 +0.018 A ENDROOT BRANCH 6 11 ATOM 11 C LIG 1 3.397 -1.894 0.885 0.00 0.00 +0.037 A ATOM 12 C LIG 1 4.340 -1.187 0.126 0.00 0.00 +0.028 A ATOM 13 C LIG 1 5.710 -1.538 0.056 0.00 0.00 -0.035 A ATOM 14 C LIG 1 6.104 -2.665 0.797 0.00 0.00 +0.004 A ATOM 15 C LIG 1 5.190 -3.393 1.555 0.00 0.00 +0.002 A ATOM 16 C LIG 1 3.849 -3.010 1.599 0.00 0.00 +0.023 A BRANCH 13 17 ATOM 17 C LIG 1 6.748 -0.671 -0.801 0.00 0.00 +0.049 C ATOM 18 C LIG 1 7.747 -1.458 -1.699 0.00 0.00 +0.174 C ATOM 19 O LIG 1 7.524 -0.534 -2.797 0.00 0.00 -0.378 OA ATOM 20 C LIG 1 6.274 -0.129 -2.179 0.00 0.00 +0.174 C BRANCH 17 21 ATOM 21 C LIG 1 7.510 0.355 0.064 0.00 0.00 +0.092 C BRANCH 21 22 ATOM 22 C LIG 1 6.663 1.198 0.957 0.00 0.00 +0.134 A ATOM 23 N LIG 1 6.081 2.399 0.644 0.00 0.00 -0.320 N ATOM 24 C LIG 1 6.153 3.152 -0.577 0.00 0.00 +0.151 C ATOM 25 C LIG 1 5.404 2.794 1.759 0.00 0.00 +0.224 A ATOM 26 N LIG 1 5.579 1.915 2.715 0.00 0.00 -0.138 NA ATOM 27 N LIG 1 6.377 0.917 2.215 0.00 0.00 -0.135 NA ENDBRANCH 21 22 ENDBRANCH 17 21 ENDBRANCH 13 17 ENDBRANCH 6 11 BRANCH 3 28 ATOM 28 C LIG 1 -1.721 -2.719 3.094 0.00 0.00 +0.418 C ATOM 29 F LIG 1 -0.888 -2.669 4.171 0.00 0.00 -0.166 F ATOM 30 F LIG 1 -1.524 -3.945 2.534 0.00 0.00 -0.166 F ATOM 31 F LIG 1 -2.985 -2.732 3.597 0.00 0.00 -0.166 F ENDBRANCH 3 28 BRANCH 1 32 ATOM 32 C LIG 1 -3.378 1.240 0.366 0.00 0.00 +0.120 C BRANCH 32 34 ATOM 33 C LIG 1 -5.845 1.040 -0.026 0.00 0.00 +0.074 C ATOM 34 N LIG 1 -4.479 0.497 -0.230 0.00 0.00 -0.293 NA ATOM 35 C LIG 1 -4.250 0.122 -1.636 0.00 0.00 +0.100 C ATOM 36 C LIG 1 -5.318 -0.873 -2.152 0.00 0.00 +0.099 C ATOM 37 N LIG 1 -6.704 -0.446 -1.873 0.00 0.00 -0.303 NA ATOM 38 C LIG 1 -7.651 -1.495 -2.243 0.00 0.00 +0.105 C ATOM 39 C LIG 1 -6.822 -0.114 -0.438 0.00 0.00 +0.103 C BRANCH 33 41 ATOM 40 C LIG 1 -7.691 2.766 -0.532 0.00 0.00 +0.009 C ATOM 41 C LIG 1 -6.209 2.398 -0.731 0.00 0.00 +0.001 C ATOM 42 C LIG 1 -5.373 3.588 -0.243 0.00 0.00 +0.009 C ENDBRANCH 33 41 ENDBRANCH 32 34 ENDBRANCH 1 32 TORSDOF 8