REMARK Name = BDB038542 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 0.699 1.118 0.069 0.00 0.00 -0.263 N ATOM 2 C LIG 1 0.099 -0.137 -0.075 0.00 0.00 +0.251 C ATOM 3 O LIG 1 0.469 -1.147 -0.642 0.00 0.00 -0.270 OA ATOM 4 C LIG 1 -1.202 -0.068 0.600 0.00 0.00 +0.043 A ATOM 5 C LIG 1 -2.145 -1.068 0.756 0.00 0.00 +0.019 A ATOM 6 C LIG 1 -3.327 -0.756 1.440 0.00 0.00 -0.021 A ATOM 7 C LIG 1 -3.508 0.551 1.954 0.00 0.00 +0.018 A ATOM 8 C LIG 1 -2.536 1.558 1.789 0.00 0.00 +0.061 A ATOM 9 C LIG 1 -1.377 1.216 1.099 0.00 0.00 -0.006 A ATOM 10 C LIG 1 -0.181 2.047 0.764 0.00 0.00 +0.150 C ENDROOT BRANCH 1 13 ATOM 11 C LIG 1 4.196 0.901 -1.317 0.00 0.00 -0.015 A ATOM 12 C LIG 1 2.899 0.545 -0.893 0.00 0.00 +0.032 A ATOM 13 C LIG 1 2.000 1.488 -0.371 0.00 0.00 +0.038 A ATOM 14 C LIG 1 2.431 2.820 -0.282 0.00 0.00 +0.023 A ATOM 15 C LIG 1 3.704 3.199 -0.715 0.00 0.00 +0.002 A ATOM 16 C LIG 1 4.577 2.247 -1.234 0.00 0.00 +0.008 A BRANCH 11 18 ATOM 17 C LIG 1 5.571 -1.233 -1.108 0.00 0.00 +0.027 A ATOM 18 C LIG 1 5.125 -0.115 -1.853 0.00 0.00 -0.007 A ATOM 19 C LIG 1 5.573 0.019 -3.185 0.00 0.00 +0.009 A ATOM 20 C LIG 1 6.418 -0.926 -3.770 0.00 0.00 +0.001 A ATOM 21 C LIG 1 6.828 -2.034 -3.039 0.00 0.00 +0.001 A ATOM 22 C LIG 1 6.404 -2.187 -1.721 0.00 0.00 +0.012 A BRANCH 17 25 ATOM 23 C LIG 1 6.328 0.521 1.389 0.00 0.00 +0.152 C ATOM 24 N LIG 1 5.529 -0.674 1.364 0.00 0.00 -0.317 N ATOM 25 C LIG 1 5.205 -1.467 0.290 0.00 0.00 +0.164 A ATOM 26 N LIG 1 4.562 -2.528 0.749 0.00 0.00 -0.129 NA ATOM 27 N LIG 1 4.421 -2.401 2.111 0.00 0.00 -0.138 NA ATOM 28 C LIG 1 5.006 -1.284 2.463 0.00 0.00 +0.225 A ENDBRANCH 17 25 ENDBRANCH 11 18 ENDBRANCH 1 13 BRANCH 8 29 ATOM 29 C LIG 1 -2.743 2.951 2.317 0.00 0.00 +0.418 C ATOM 30 F LIG 1 -3.859 3.094 3.079 0.00 0.00 -0.166 F ATOM 31 F LIG 1 -1.703 3.367 3.093 0.00 0.00 -0.166 F ATOM 32 F LIG 1 -2.844 3.868 1.318 0.00 0.00 -0.166 F ENDBRANCH 8 29 BRANCH 6 33 ATOM 33 C LIG 1 -4.381 -1.816 1.653 0.00 0.00 +0.195 C BRANCH 33 34 ATOM 34 O LIG 1 -5.685 -1.307 1.369 0.00 0.00 -0.369 OA BRANCH 34 35 ATOM 35 C LIG 1 -6.156 -1.636 0.062 0.00 0.00 +0.147 C ATOM 36 C LIG 1 -7.617 -1.193 -0.076 0.00 0.00 +0.143 C ATOM 37 C LIG 1 -7.846 -1.197 -1.580 0.00 0.00 +0.034 C ATOM 38 C LIG 1 -6.494 -0.820 -2.195 0.00 0.00 +0.005 C ATOM 39 C LIG 1 -5.471 -0.857 -1.059 0.00 0.00 +0.034 C BRANCH 36 40 ATOM 40 O LIG 1 -7.786 0.133 0.428 0.00 0.00 -0.389 OA ATOM 41 H LIG 1 -7.257 0.158 1.250 0.00 0.00 +0.210 HD ENDBRANCH 36 40 ENDBRANCH 34 35 ENDBRANCH 33 34 ENDBRANCH 6 33 TORSDOF 8