REMARK Name = BDB040020 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 1.206 -1.276 -0.524 0.00 0.00 -0.263 N ATOM 2 C LIG 1 0.503 -0.192 0.011 0.00 0.00 +0.251 C ATOM 3 O LIG 1 0.840 0.959 0.220 0.00 0.00 -0.270 OA ATOM 4 C LIG 1 -0.846 -0.674 0.334 0.00 0.00 +0.043 A ATOM 5 C LIG 1 -1.907 0.030 0.875 0.00 0.00 +0.018 A ATOM 6 C LIG 1 -3.111 -0.657 1.083 0.00 0.00 -0.032 A ATOM 7 C LIG 1 -3.197 -2.031 0.747 0.00 0.00 +0.017 A ATOM 8 C LIG 1 -2.107 -2.733 0.200 0.00 0.00 +0.061 A ATOM 9 C LIG 1 -0.928 -2.021 -0.000 0.00 0.00 -0.006 A ATOM 10 C LIG 1 0.381 -2.477 -0.559 0.00 0.00 +0.150 C ENDROOT BRANCH 1 13 ATOM 11 C LIG 1 4.671 -0.052 -1.437 0.00 0.00 -0.032 A ATOM 12 C LIG 1 3.327 -0.101 -0.989 0.00 0.00 +0.028 A ATOM 13 C LIG 1 2.551 -1.271 -0.988 0.00 0.00 +0.037 A ATOM 14 C LIG 1 3.150 -2.444 -1.461 0.00 0.00 +0.023 A ATOM 15 C LIG 1 4.472 -2.442 -1.905 0.00 0.00 +0.002 A ATOM 16 C LIG 1 5.216 -1.264 -1.890 0.00 0.00 +0.004 A BRANCH 11 17 ATOM 17 C LIG 1 5.511 1.328 -1.406 0.00 0.00 +0.080 C ATOM 18 C LIG 1 4.796 2.549 -2.049 0.00 0.00 +0.177 C ATOM 19 O LIG 1 5.959 2.873 -2.844 0.00 0.00 -0.378 OA ATOM 20 C LIG 1 6.557 1.596 -2.518 0.00 0.00 +0.177 C BRANCH 17 21 ATOM 21 C LIG 1 6.017 1.628 0.013 0.00 0.00 +0.248 C ATOM 22 F LIG 1 6.383 2.946 0.090 0.00 0.00 -0.236 F BRANCH 21 25 ATOM 23 C LIG 1 7.711 2.107 2.539 0.00 0.00 +0.151 C ATOM 24 N LIG 1 7.895 1.034 1.599 0.00 0.00 -0.318 N ATOM 25 C LIG 1 7.165 0.785 0.464 0.00 0.00 +0.168 A ATOM 26 N LIG 1 7.678 -0.276 -0.130 0.00 0.00 -0.132 NA ATOM 27 N LIG 1 8.734 -0.726 0.623 0.00 0.00 -0.138 NA ATOM 28 C LIG 1 8.854 0.072 1.656 0.00 0.00 +0.224 A ENDBRANCH 21 25 ENDBRANCH 17 21 ENDBRANCH 11 17 ENDBRANCH 1 13 BRANCH 8 29 ATOM 29 C LIG 1 -2.207 -4.188 -0.169 0.00 0.00 +0.418 C ATOM 30 F LIG 1 -3.390 -4.766 0.171 0.00 0.00 -0.166 F ATOM 31 F LIG 1 -1.237 -4.936 0.427 0.00 0.00 -0.166 F ATOM 32 F LIG 1 -2.057 -4.389 -1.507 0.00 0.00 -0.166 F ENDBRANCH 8 29 BRANCH 6 33 ATOM 33 C LIG 1 -4.310 0.060 1.673 0.00 0.00 +0.119 C BRANCH 33 34 ATOM 34 N LIG 1 -5.507 -0.024 0.817 0.00 0.00 -0.298 NA ATOM 35 C LIG 1 -6.695 0.410 1.579 0.00 0.00 +0.090 C ATOM 36 C LIG 1 -7.977 0.262 0.741 0.00 0.00 +0.029 C ATOM 37 C LIG 1 -7.852 1.070 -0.556 0.00 0.00 +0.008 C ATOM 38 C LIG 1 -6.582 0.677 -1.302 0.00 0.00 +0.016 C ATOM 39 C LIG 1 -5.350 0.789 -0.402 0.00 0.00 +0.085 C BRANCH 36 40 ATOM 40 C LIG 1 -9.216 0.662 1.549 0.00 0.00 +0.160 C BRANCH 40 41 ATOM 41 O LIG 1 -9.151 2.011 1.990 0.00 0.00 -0.395 OA ATOM 42 H LIG 1 -9.368 2.579 1.231 0.00 0.00 +0.209 HD ENDBRANCH 40 41 ENDBRANCH 36 40 ENDBRANCH 33 34 ENDBRANCH 6 33 TORSDOF 9