REMARK Name = BDB041675 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.262 0.821 0.085 0.00 0.00 +0.083 C ATOM 2 C LIG 1 -2.461 -0.077 -0.267 0.00 0.00 +0.172 C ATOM 3 C LIG 1 -3.703 0.756 -0.671 0.00 0.00 +0.242 C ATOM 4 O LIG 1 -4.425 0.403 -1.610 0.00 0.00 -0.273 OA ATOM 5 N LIG 1 -4.032 1.849 0.151 0.00 0.00 -0.254 N ATOM 6 C LIG 1 -3.003 2.404 0.926 0.00 0.00 +0.135 A ATOM 7 N LIG 1 -3.000 3.562 1.700 0.00 0.00 -0.218 N ATOM 8 N LIG 1 -1.976 3.522 2.590 0.00 0.00 -0.170 NA ATOM 9 C LIG 1 -1.110 2.647 2.063 0.00 0.00 +0.066 A ATOM 10 C LIG 1 0.259 2.573 2.634 0.00 0.00 +0.068 C ATOM 11 C LIG 1 -1.711 1.905 1.012 0.00 0.00 +0.025 A ENDROOT BRANCH 1 14 ATOM 12 C LIG 1 2.296 -0.441 0.685 0.00 0.00 +0.034 A ATOM 13 C LIG 1 1.193 0.241 0.165 0.00 0.00 +0.027 A ATOM 14 C LIG 1 -0.099 0.069 0.706 0.00 0.00 -0.036 A ATOM 15 C LIG 1 -0.259 -0.819 1.781 0.00 0.00 +0.004 A ATOM 16 C LIG 1 0.836 -1.504 2.305 0.00 0.00 +0.002 A ATOM 17 C LIG 1 2.106 -1.313 1.762 0.00 0.00 +0.023 A BRANCH 12 19 ATOM 18 C LIG 1 4.042 0.444 -0.878 0.00 0.00 +0.245 C ATOM 19 N LIG 1 3.608 -0.301 0.197 0.00 0.00 -0.282 N ATOM 20 H LIG 1 4.325 -0.847 0.672 0.00 0.00 +0.155 HD ATOM 21 O LIG 1 3.346 1.103 -1.643 0.00 0.00 -0.270 OA BRANCH 18 23 ATOM 22 C LIG 1 6.005 0.561 -2.315 0.00 0.00 +0.019 C ATOM 23 C LIG 1 5.533 0.385 -1.068 0.00 0.00 +0.022 C BRANCH 23 24 ATOM 24 C LIG 1 6.427 0.226 0.134 0.00 0.00 +0.124 C BRANCH 24 25 ATOM 25 N LIG 1 6.299 -1.092 0.776 0.00 0.00 -0.292 NA ATOM 26 C LIG 1 6.864 -2.194 -0.049 0.00 0.00 +0.160 C ATOM 27 C LIG 1 7.435 -3.206 0.947 0.00 0.00 +0.262 C ATOM 28 F LIG 1 6.923 -4.441 0.782 0.00 0.00 -0.204 F ATOM 29 F LIG 1 8.779 -3.295 0.800 0.00 0.00 -0.204 F ATOM 30 C LIG 1 7.104 -2.650 2.313 0.00 0.00 +0.092 C ATOM 31 C LIG 1 7.039 -1.157 2.046 0.00 0.00 +0.091 C ENDBRANCH 24 25 ENDBRANCH 23 24 ENDBRANCH 18 23 ENDBRANCH 12 19 ENDBRANCH 1 14 BRANCH 7 32 ATOM 32 C LIG 1 -3.720 4.782 1.551 0.00 0.00 +0.067 A ATOM 33 C LIG 1 -3.830 5.651 2.646 0.00 0.00 +0.028 A ATOM 34 C LIG 1 -4.501 6.868 2.511 0.00 0.00 +0.002 A ATOM 35 C LIG 1 -5.044 7.232 1.280 0.00 0.00 +0.000 A ATOM 36 C LIG 1 -4.906 6.389 0.178 0.00 0.00 +0.002 A ATOM 37 C LIG 1 -4.237 5.170 0.307 0.00 0.00 +0.028 A ENDBRANCH 7 32 BRANCH 2 38 ATOM 38 N LIG 1 -2.150 -1.023 -1.347 0.00 0.00 -0.299 N ATOM 39 H LIG 1 -2.304 -0.683 -2.290 0.00 0.00 +0.150 HD ATOM 40 C LIG 1 -2.249 -2.382 -1.145 0.00 0.00 +0.245 C ATOM 41 O LIG 1 -2.475 -2.895 -0.055 0.00 0.00 -0.270 OA BRANCH 40 42 ATOM 42 C LIG 1 -2.101 -3.238 -2.354 0.00 0.00 +0.037 A ATOM 43 C LIG 1 -2.754 -4.478 -2.378 0.00 0.00 +0.025 A ATOM 44 C LIG 1 -2.640 -5.325 -3.492 0.00 0.00 +0.056 A ATOM 45 C LIG 1 -1.864 -4.906 -4.585 0.00 0.00 +0.012 A ATOM 46 C LIG 1 -1.199 -3.679 -4.556 0.00 0.00 +0.001 A ATOM 47 C LIG 1 -1.312 -2.846 -3.442 0.00 0.00 +0.013 A BRANCH 44 48 ATOM 48 C LIG 1 -3.368 -6.646 -3.531 0.00 0.00 +0.417 C ATOM 49 F LIG 1 -4.574 -6.552 -4.155 0.00 0.00 -0.166 F ATOM 50 F LIG 1 -3.623 -7.160 -2.296 0.00 0.00 -0.166 F ATOM 51 F LIG 1 -2.677 -7.613 -4.199 0.00 0.00 -0.166 F ENDBRANCH 44 48 ENDBRANCH 40 42 ENDBRANCH 2 38 BRANCH 5 52 ATOM 52 C LIG 1 -5.452 2.197 0.229 0.00 0.00 +0.112 C ATOM 53 C LIG 1 -6.267 1.115 0.931 0.00 0.00 +0.025 C ENDBRANCH 5 52 TORSDOF 10