REMARK Name = BDB034343 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.432 -1.213 -0.918 0.00 0.00 +0.038 A ATOM 2 C LIG 1 1.818 -0.937 -0.712 0.00 0.00 +0.021 A ATOM 3 C LIG 1 2.574 -1.859 0.050 0.00 0.00 +0.073 A ATOM 4 C LIG 1 3.919 -1.607 0.289 0.00 0.00 +0.037 A ATOM 5 C LIG 1 4.584 -0.474 -0.207 0.00 0.00 -0.016 A ATOM 6 C LIG 1 3.844 0.425 -0.976 0.00 0.00 +0.009 A ATOM 7 N LIG 1 2.057 -2.987 0.554 0.00 0.00 -0.255 NA ATOM 8 C LIG 1 0.765 -3.255 0.294 0.00 0.00 +0.113 A ATOM 9 C LIG 1 2.488 0.198 -1.227 0.00 0.00 +0.012 A ATOM 10 C LIG 1 -0.066 -2.424 -0.434 0.00 0.00 +0.043 A ENDROOT BRANCH 5 11 ATOM 11 C LIG 1 6.013 -0.250 0.067 0.00 0.00 -0.017 A ATOM 12 C LIG 1 6.463 0.963 0.615 0.00 0.00 +0.021 A ATOM 13 C LIG 1 7.823 1.192 0.881 0.00 0.00 +0.056 A ATOM 14 C LIG 1 8.752 0.185 0.578 0.00 0.00 +0.024 A ATOM 15 C LIG 1 8.335 -1.041 0.039 0.00 0.00 +0.056 A ATOM 16 C LIG 1 6.968 -1.241 -0.216 0.00 0.00 +0.021 A BRANCH 13 17 ATOM 17 C LIG 1 8.275 2.517 1.448 0.00 0.00 +0.417 C ATOM 18 F LIG 1 8.470 3.451 0.477 0.00 0.00 -0.166 F ATOM 19 F LIG 1 7.377 3.059 2.315 0.00 0.00 -0.166 F ATOM 20 F LIG 1 9.450 2.434 2.131 0.00 0.00 -0.166 F ENDBRANCH 13 17 BRANCH 15 21 ATOM 21 C LIG 1 9.339 -2.116 -0.305 0.00 0.00 +0.417 C ATOM 22 F LIG 1 10.462 -2.060 0.464 0.00 0.00 -0.166 F ATOM 23 F LIG 1 9.763 -2.031 -1.595 0.00 0.00 -0.166 F ATOM 24 F LIG 1 8.846 -3.376 -0.152 0.00 0.00 -0.166 F ENDBRANCH 15 21 ENDBRANCH 5 11 BRANCH 1 25 ATOM 25 N LIG 1 -0.355 -0.341 -1.690 0.00 0.00 -0.343 N ATOM 26 H LIG 1 -0.064 0.627 -1.581 0.00 0.00 +0.146 HD BRANCH 25 27 ATOM 27 C LIG 1 -1.810 -0.454 -1.781 0.00 0.00 +0.103 C BRANCH 27 28 ATOM 28 C LIG 1 -2.492 0.073 -0.520 0.00 0.00 +0.034 C BRANCH 28 29 ATOM 29 C LIG 1 -4.014 -0.105 -0.534 0.00 0.00 +0.083 C BRANCH 29 30 ATOM 30 N LIG 1 -4.652 0.715 -1.568 0.00 0.00 -0.312 NA ATOM 31 H LIG 1 -4.376 0.378 -2.489 0.00 0.00 +0.122 HD BRANCH 30 32 ATOM 32 C LIG 1 -6.121 0.628 -1.494 0.00 0.00 +0.120 C BRANCH 32 34 ATOM 33 C LIG 1 -7.628 0.755 0.569 0.00 0.00 +0.125 A ATOM 34 C LIG 1 -6.714 1.368 -0.314 0.00 0.00 +0.011 A ATOM 35 C LIG 1 -6.367 2.718 -0.112 0.00 0.00 +0.046 A ATOM 36 C LIG 1 -6.906 3.428 0.951 0.00 0.00 +0.124 A ATOM 37 F LIG 1 -6.563 4.710 1.134 0.00 0.00 -0.205 F ATOM 38 C LIG 1 -7.798 2.828 1.826 0.00 0.00 +0.042 A ATOM 39 C LIG 1 -8.161 1.492 1.636 0.00 0.00 +0.049 A BRANCH 33 41 ATOM 40 C LIG 1 -8.851 -1.205 1.175 0.00 0.00 +0.277 C ATOM 41 O LIG 1 -7.933 -0.555 0.305 0.00 0.00 -0.495 OA ENDBRANCH 33 41 ENDBRANCH 32 34 ENDBRANCH 30 32 ENDBRANCH 29 30 ENDBRANCH 28 29 ENDBRANCH 27 28 ENDBRANCH 25 27 ENDBRANCH 1 25 TORSDOF 11