REMARK Name = BDB034345 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 4.196 -0.177 -0.033 0.00 0.00 -0.016 A ATOM 2 C LIG 1 3.814 0.133 1.282 0.00 0.00 +0.037 A ATOM 3 C LIG 1 2.638 -0.334 1.858 0.00 0.00 +0.073 A ATOM 4 C LIG 1 1.766 -1.148 1.099 0.00 0.00 +0.021 A ATOM 5 C LIG 1 0.555 -1.589 1.712 0.00 0.00 +0.038 A ATOM 6 C LIG 1 0.356 -1.266 3.056 0.00 0.00 +0.043 A ATOM 7 C LIG 1 1.278 -0.468 3.704 0.00 0.00 +0.113 A ATOM 8 C LIG 1 2.156 -1.478 -0.222 0.00 0.00 +0.012 A ATOM 9 N LIG 1 2.395 0.010 3.129 0.00 0.00 -0.255 NA ATOM 10 C LIG 1 3.347 -0.999 -0.776 0.00 0.00 +0.009 A ENDROOT BRANCH 1 15 ATOM 11 C LIG 1 6.925 2.226 -1.139 0.00 0.00 +0.056 A ATOM 12 C LIG 1 7.854 1.332 -1.693 0.00 0.00 +0.024 A ATOM 13 C LIG 1 7.604 -0.048 -1.711 0.00 0.00 +0.056 A ATOM 14 C LIG 1 6.398 -0.527 -1.172 0.00 0.00 +0.021 A ATOM 15 C LIG 1 5.451 0.340 -0.602 0.00 0.00 -0.017 A ATOM 16 C LIG 1 5.736 1.715 -0.590 0.00 0.00 +0.021 A BRANCH 11 18 ATOM 17 F LIG 1 7.812 4.086 0.062 0.00 0.00 -0.166 F ATOM 18 C LIG 1 7.208 3.709 -1.097 0.00 0.00 +0.417 C ATOM 19 F LIG 1 8.032 4.121 -2.101 0.00 0.00 -0.166 F ATOM 20 F LIG 1 6.085 4.470 -1.204 0.00 0.00 -0.166 F ENDBRANCH 11 18 BRANCH 13 21 ATOM 21 C LIG 1 8.593 -1.006 -2.331 0.00 0.00 +0.417 C ATOM 22 F LIG 1 8.630 -2.215 -1.705 0.00 0.00 -0.166 F ATOM 23 F LIG 1 9.872 -0.539 -2.314 0.00 0.00 -0.166 F ATOM 24 F LIG 1 8.307 -1.267 -3.636 0.00 0.00 -0.166 F ENDBRANCH 13 21 ENDBRANCH 1 15 BRANCH 5 25 ATOM 25 N LIG 1 -0.334 -2.421 1.010 0.00 0.00 -0.343 N ATOM 26 H LIG 1 -0.325 -2.236 0.012 0.00 0.00 +0.146 HD BRANCH 25 27 ATOM 27 C LIG 1 -1.661 -2.771 1.508 0.00 0.00 +0.103 C BRANCH 27 28 ATOM 28 C LIG 1 -2.662 -1.615 1.428 0.00 0.00 +0.034 C BRANCH 28 29 ATOM 29 C LIG 1 -3.011 -1.241 -0.016 0.00 0.00 +0.083 C BRANCH 29 30 ATOM 30 N LIG 1 -3.966 -0.133 -0.102 0.00 0.00 -0.312 NA ATOM 31 H LIG 1 -3.982 0.214 -1.062 0.00 0.00 +0.122 HD BRANCH 30 32 ATOM 32 C LIG 1 -5.336 -0.534 0.243 0.00 0.00 +0.120 C BRANCH 32 33 ATOM 33 C LIG 1 -6.307 0.599 0.044 0.00 0.00 +0.012 A ATOM 34 C LIG 1 -7.487 0.438 -0.665 0.00 0.00 +0.171 A ATOM 35 O LIG 1 -7.909 -0.705 -1.276 0.00 0.00 -0.452 OA ATOM 36 C LIG 1 -9.166 -0.275 -1.836 0.00 0.00 +0.466 C ATOM 37 O LIG 1 -9.479 1.102 -1.552 0.00 0.00 -0.453 OA ATOM 38 C LIG 1 -8.390 1.468 -0.823 0.00 0.00 +0.167 A ATOM 39 C LIG 1 -8.177 2.717 -0.283 0.00 0.00 +0.049 A ATOM 40 C LIG 1 -7.004 2.916 0.447 0.00 0.00 +0.004 A ATOM 41 C LIG 1 -6.082 1.867 0.612 0.00 0.00 +0.009 A ENDBRANCH 32 33 ENDBRANCH 30 32 ENDBRANCH 29 30 ENDBRANCH 28 29 ENDBRANCH 27 28 ENDBRANCH 25 27 ENDBRANCH 5 25 TORSDOF 10