REMARK Name = BDB051795 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 3.415 1.235 0.010 0.00 0.00 -0.041 A ATOM 2 C LIG 1 2.403 0.266 -0.056 0.00 0.00 +0.020 A ATOM 3 C LIG 1 1.887 -0.293 1.120 0.00 0.00 +0.072 A ATOM 4 C LIG 1 2.393 0.091 2.358 0.00 0.00 +0.135 A ATOM 5 F LIG 1 1.936 -0.462 3.490 0.00 0.00 -0.205 F ATOM 6 C LIG 1 3.380 1.067 2.438 0.00 0.00 +0.039 A ATOM 7 C LIG 1 3.883 1.644 1.269 0.00 0.00 +0.007 A ENDROOT BRANCH 3 8 ATOM 8 C LIG 1 0.872 -1.352 1.014 0.00 0.00 +0.249 C ATOM 9 N LIG 1 -0.410 -1.116 1.497 0.00 0.00 -0.294 N ATOM 10 C LIG 1 -0.895 0.192 1.959 0.00 0.00 +0.127 C ATOM 11 C LIG 1 -2.326 0.150 2.515 0.00 0.00 +0.127 C ATOM 12 N LIG 1 -3.283 -0.497 1.601 0.00 0.00 -0.297 N ATOM 13 C LIG 1 -4.590 -0.008 1.589 0.00 0.00 +0.236 C ATOM 14 O LIG 1 -4.879 0.922 2.356 0.00 0.00 -0.274 OA ATOM 15 C LIG 1 -2.740 -1.606 0.803 0.00 0.00 +0.127 C ATOM 16 C LIG 1 -1.421 -2.164 1.360 0.00 0.00 +0.127 C ATOM 17 O LIG 1 1.207 -2.389 0.445 0.00 0.00 -0.270 OA BRANCH 13 18 ATOM 18 C LIG 1 -5.706 -0.644 0.654 0.00 0.00 +0.093 C ATOM 19 N LIG 1 -6.914 0.246 0.704 0.00 0.00 -0.303 NA ATOM 20 H LIG 1 -7.761 -0.297 0.555 0.00 0.00 +0.123 HD ATOM 21 C LIG 1 -6.851 1.320 -0.281 0.00 0.00 +0.082 C ATOM 22 C LIG 1 -6.998 0.756 -1.692 0.00 0.00 +0.015 C ATOM 23 C LIG 1 -6.344 -0.618 -1.838 0.00 0.00 +0.003 C ATOM 24 C LIG 1 -5.228 -0.811 -0.813 0.00 0.00 +0.031 C ATOM 25 C LIG 1 -6.168 -1.979 1.264 0.00 0.00 +0.037 C ENDBRANCH 13 18 ENDBRANCH 3 8 BRANCH 1 26 ATOM 26 C LIG 1 3.969 1.845 -1.258 0.00 0.00 +0.092 C BRANCH 26 36 ATOM 27 C LIG 1 5.341 -0.724 -1.959 0.00 0.00 +0.046 C ATOM 28 C LIG 1 6.179 0.484 -1.662 0.00 0.00 -0.019 A ATOM 29 C LIG 1 7.527 0.504 -1.667 0.00 0.00 +0.020 A ATOM 30 C LIG 1 8.435 -0.669 -1.901 0.00 0.00 +0.050 C ATOM 31 C LIG 1 8.248 1.784 -1.411 0.00 0.00 +0.268 A ATOM 32 O LIG 1 9.474 1.852 -1.425 0.00 0.00 -0.266 OA ATOM 33 N LIG 1 7.471 2.880 -1.167 0.00 0.00 -0.243 N ATOM 34 H LIG 1 7.951 3.757 -0.992 0.00 0.00 +0.192 HD ATOM 35 N LIG 1 6.117 2.903 -1.120 0.00 0.00 -0.175 NA ATOM 36 C LIG 1 5.494 1.786 -1.348 0.00 0.00 +0.069 A ENDBRANCH 26 36 ENDBRANCH 1 26 TORSDOF 4