REMARK Name = BDB035801 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 1.024 -0.071 0.675 0.00 0.00 -0.263 N ATOM 2 C LIG 1 -0.004 0.297 1.549 0.00 0.00 +0.251 C ATOM 3 O LIG 1 -0.020 0.440 2.757 0.00 0.00 -0.270 OA ATOM 4 C LIG 1 -1.200 0.522 0.731 0.00 0.00 +0.043 A ATOM 5 C LIG 1 -2.463 0.906 1.141 0.00 0.00 +0.018 A ATOM 6 C LIG 1 -3.460 1.070 0.164 0.00 0.00 -0.029 A ATOM 7 C LIG 1 -3.131 0.839 -1.196 0.00 0.00 +0.018 A ATOM 8 C LIG 1 -1.838 0.443 -1.597 0.00 0.00 +0.061 A ATOM 9 C LIG 1 -0.879 0.290 -0.600 0.00 0.00 -0.006 A ATOM 10 C LIG 1 0.558 -0.105 -0.706 0.00 0.00 +0.150 C ENDROOT BRANCH 1 13 ATOM 11 C LIG 1 4.661 -1.002 0.353 0.00 0.00 -0.035 A ATOM 12 C LIG 1 3.308 -0.723 0.046 0.00 0.00 +0.028 A ATOM 13 C LIG 1 2.369 -0.367 1.029 0.00 0.00 +0.037 A ATOM 14 C LIG 1 2.814 -0.310 2.352 0.00 0.00 +0.023 A ATOM 15 C LIG 1 4.144 -0.583 2.680 0.00 0.00 +0.002 A ATOM 16 C LIG 1 5.063 -0.923 1.690 0.00 0.00 +0.004 A BRANCH 11 17 ATOM 17 C LIG 1 5.597 -1.353 -0.801 0.00 0.00 +0.094 C BRANCH 17 20 ATOM 18 C LIG 1 6.319 1.713 -0.213 0.00 0.00 +0.151 C ATOM 19 N LIG 1 6.105 1.088 -1.489 0.00 0.00 -0.320 N ATOM 20 C LIG 1 5.795 -0.220 -1.773 0.00 0.00 +0.141 A ATOM 21 N LIG 1 5.700 -0.345 -3.084 0.00 0.00 -0.134 NA ATOM 22 N LIG 1 5.938 0.876 -3.657 0.00 0.00 -0.138 NA ATOM 23 C LIG 1 6.181 1.726 -2.690 0.00 0.00 +0.224 A ENDBRANCH 17 20 BRANCH 17 24 ATOM 24 C LIG 1 6.948 -1.910 -0.366 0.00 0.00 +0.055 C ATOM 25 C LIG 1 6.959 -3.309 0.277 0.00 0.00 +0.166 C ATOM 26 O LIG 1 8.049 -3.723 -0.584 0.00 0.00 -0.379 OA ATOM 27 C LIG 1 7.775 -2.603 -1.467 0.00 0.00 +0.166 C ENDBRANCH 17 24 ENDBRANCH 11 17 ENDBRANCH 1 13 BRANCH 8 28 ATOM 28 C LIG 1 -1.496 0.208 -3.044 0.00 0.00 +0.418 C ATOM 29 F LIG 1 -0.561 1.086 -3.497 0.00 0.00 -0.166 F ATOM 30 F LIG 1 -2.559 0.319 -3.885 0.00 0.00 -0.166 F ATOM 31 F LIG 1 -0.975 -1.032 -3.254 0.00 0.00 -0.166 F ENDBRANCH 8 28 BRANCH 6 32 ATOM 32 C LIG 1 -4.882 1.480 0.534 0.00 0.00 +0.087 C BRANCH 32 33 ATOM 33 C LIG 1 -4.866 2.816 1.247 0.00 0.00 +0.010 C ATOM 34 C LIG 1 -6.063 3.734 1.171 0.00 0.00 +0.006 C ATOM 35 C LIG 1 -4.793 4.106 0.463 0.00 0.00 +0.006 C ENDBRANCH 32 33 BRANCH 32 36 ATOM 36 N LIG 1 -5.541 0.532 1.436 0.00 0.00 -0.304 NA ATOM 37 H LIG 1 -4.887 0.218 2.149 0.00 0.00 +0.123 HD BRANCH 36 38 ATOM 38 C LIG 1 -6.321 -0.516 0.763 0.00 0.00 +0.017 C ATOM 39 C LIG 1 -5.397 -1.567 0.085 0.00 0.00 +0.022 C ATOM 40 C LIG 1 -6.255 -2.661 0.754 0.00 0.00 +0.004 C ATOM 41 C LIG 1 -6.626 -1.615 1.830 0.00 0.00 +0.022 C ATOM 42 C LIG 1 -7.550 -0.011 0.025 0.00 0.00 +0.027 C ENDBRANCH 36 38 ENDBRANCH 32 36 ENDBRANCH 6 32 TORSDOF 9