REMARK Name = BDB026035 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.273 -1.091 0.181 0.00 0.00 +0.054 A ATOM 2 C LIG 1 -0.627 0.171 0.128 0.00 0.00 +0.056 A ATOM 3 C LIG 1 0.770 0.261 0.119 0.00 0.00 +0.036 A ATOM 4 C LIG 1 1.575 -0.891 0.169 0.00 0.00 +0.019 A ATOM 5 C LIG 1 0.919 -2.128 0.235 0.00 0.00 +0.133 A ATOM 6 F LIG 1 1.628 -3.268 0.275 0.00 0.00 -0.205 F ATOM 7 C LIG 1 -0.473 -2.234 0.243 0.00 0.00 +0.064 A ENDROOT BRANCH 1 15 ATOM 8 C LIG 1 -3.247 -3.410 -2.063 0.00 0.00 +0.026 C ATOM 9 C LIG 1 -4.125 -2.205 -1.677 0.00 0.00 +0.071 C ATOM 10 N LIG 1 -5.215 -2.502 -0.712 0.00 0.00 -0.297 NA ATOM 11 C LIG 1 -5.886 -3.772 -0.934 0.00 0.00 +0.105 C ATOM 12 C LIG 1 -4.895 -2.135 0.690 0.00 0.00 +0.071 C ATOM 13 C LIG 1 -5.623 -2.938 1.776 0.00 0.00 +0.026 C ATOM 14 C LIG 1 -3.370 -2.118 0.994 0.00 0.00 +0.123 C ATOM 15 N LIG 1 -2.680 -1.143 0.128 0.00 0.00 -0.325 N ATOM 16 C LIG 1 -3.235 -1.005 -1.245 0.00 0.00 +0.123 C ENDBRANCH 1 15 BRANCH 4 17 ATOM 17 C LIG 1 3.046 -0.787 0.156 0.00 0.00 -0.012 A ATOM 18 C LIG 1 3.709 0.028 -0.768 0.00 0.00 +0.048 A ATOM 19 C LIG 1 5.106 0.127 -0.774 0.00 0.00 +0.145 A ATOM 20 F LIG 1 5.646 0.951 -1.688 0.00 0.00 -0.204 F ATOM 21 C LIG 1 5.923 -0.568 0.139 0.00 0.00 +0.066 A ATOM 22 C LIG 1 5.242 -1.386 1.054 0.00 0.00 +0.026 A ATOM 23 C LIG 1 3.841 -1.493 1.067 0.00 0.00 +0.010 A BRANCH 21 24 ATOM 24 N LIG 1 7.308 -0.492 0.145 0.00 0.00 -0.323 N ATOM 25 C LIG 1 8.088 -0.722 1.374 0.00 0.00 +0.133 C ATOM 26 C LIG 1 9.328 0.188 1.399 0.00 0.00 +0.178 C ATOM 27 O LIG 1 10.209 0.003 0.283 0.00 0.00 -0.377 OA ATOM 28 C LIG 1 9.525 -0.375 -0.921 0.00 0.00 +0.178 C ATOM 29 C LIG 1 8.057 0.081 -0.985 0.00 0.00 +0.133 C ENDBRANCH 21 24 ENDBRANCH 4 17 BRANCH 2 30 ATOM 30 N LIG 1 -1.478 1.296 0.135 0.00 0.00 -0.280 N ATOM 31 H LIG 1 -2.458 1.038 0.230 0.00 0.00 +0.155 HD ATOM 32 C LIG 1 -1.148 2.616 -0.032 0.00 0.00 +0.250 C ATOM 33 O LIG 1 -0.047 3.091 -0.281 0.00 0.00 -0.270 OA BRANCH 32 34 ATOM 34 C LIG 1 -2.333 3.520 0.045 0.00 0.00 +0.062 A ATOM 35 C LIG 1 -2.729 4.355 -1.077 0.00 0.00 +0.036 A ATOM 36 C LIG 1 -3.785 5.177 -0.942 0.00 0.00 +0.080 A ATOM 37 C LIG 1 -4.550 5.250 0.332 0.00 0.00 +0.252 A ATOM 38 O LIG 1 -5.505 6.016 0.412 0.00 0.00 -0.268 OA ATOM 39 N LIG 1 -4.104 4.416 1.356 0.00 0.00 -0.318 N ATOM 40 C LIG 1 -4.787 4.441 2.640 0.00 0.00 +0.152 C ATOM 41 C LIG 1 -3.009 3.580 1.204 0.00 0.00 +0.102 A BRANCH 35 42 ATOM 42 C LIG 1 -1.951 4.241 -2.356 0.00 0.00 +0.372 C ATOM 43 F LIG 1 -2.028 2.972 -2.845 0.00 0.00 -0.204 F ATOM 44 F LIG 1 -2.475 5.039 -3.329 0.00 0.00 -0.204 F ENDBRANCH 35 42 ENDBRANCH 32 34 ENDBRANCH 2 30 TORSDOF 6