REMARK Name = BDB035748 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.172 1.873 0.147 0.00 0.00 -0.263 N ATOM 2 C LIG 1 0.393 0.654 0.536 0.00 0.00 +0.251 C ATOM 3 O LIG 1 -0.121 -0.396 0.877 0.00 0.00 -0.270 OA ATOM 4 C LIG 1 1.851 0.821 0.484 0.00 0.00 +0.043 A ATOM 5 C LIG 1 2.837 -0.107 0.768 0.00 0.00 +0.018 A ATOM 6 C LIG 1 4.172 0.296 0.641 0.00 0.00 -0.032 A ATOM 7 C LIG 1 4.466 1.618 0.224 0.00 0.00 +0.017 A ATOM 8 C LIG 1 3.450 2.551 -0.059 0.00 0.00 +0.061 A ATOM 9 C LIG 1 2.134 2.120 0.081 0.00 0.00 -0.006 A ATOM 10 C LIG 1 0.858 2.863 -0.147 0.00 0.00 +0.150 C ENDROOT BRANCH 1 13 ATOM 11 C LIG 1 -3.916 1.485 0.176 0.00 0.00 -0.035 A ATOM 12 C LIG 1 -2.540 1.196 0.273 0.00 0.00 +0.028 A ATOM 13 C LIG 1 -1.558 2.170 0.040 0.00 0.00 +0.037 A ATOM 14 C LIG 1 -1.990 3.458 -0.308 0.00 0.00 +0.023 A ATOM 15 C LIG 1 -3.351 3.763 -0.408 0.00 0.00 +0.002 A ATOM 16 C LIG 1 -4.309 2.784 -0.166 0.00 0.00 +0.004 A BRANCH 11 17 ATOM 17 C LIG 1 -4.939 0.384 0.441 0.00 0.00 +0.093 C BRANCH 17 22 ATOM 18 C LIG 1 -4.294 -3.383 -3.088 0.00 0.00 +0.109 C ATOM 19 C LIG 1 -5.403 -3.143 -2.099 0.00 0.00 +0.212 C ATOM 20 N LIG 1 -5.408 -1.901 -1.525 0.00 0.00 -0.301 N ATOM 21 C LIG 1 -4.808 -0.654 -1.960 0.00 0.00 +0.113 C ATOM 22 C LIG 1 -5.662 0.035 -0.871 0.00 0.00 +0.038 C ATOM 23 C LIG 1 -6.508 -1.258 -0.824 0.00 0.00 +0.113 C ATOM 24 O LIG 1 -6.238 -4.006 -1.840 0.00 0.00 -0.276 OA ENDBRANCH 17 22 BRANCH 17 25 ATOM 25 C LIG 1 -5.915 0.780 1.513 0.00 0.00 +0.141 A ATOM 26 N LIG 1 -5.648 0.772 2.860 0.00 0.00 -0.320 N ATOM 27 C LIG 1 -4.420 0.405 3.511 0.00 0.00 +0.151 C ATOM 28 C LIG 1 -6.784 1.199 3.474 0.00 0.00 +0.224 A ATOM 29 N LIG 1 -7.700 1.458 2.573 0.00 0.00 -0.138 NA ATOM 30 N LIG 1 -7.156 1.196 1.339 0.00 0.00 -0.134 NA ENDBRANCH 17 25 ENDBRANCH 11 17 ENDBRANCH 1 13 BRANCH 8 31 ATOM 31 C LIG 1 3.764 3.952 -0.509 0.00 0.00 +0.418 C ATOM 32 F LIG 1 5.091 4.247 -0.520 0.00 0.00 -0.166 F ATOM 33 F LIG 1 3.176 4.888 0.286 0.00 0.00 -0.166 F ATOM 34 F LIG 1 3.309 4.200 -1.768 0.00 0.00 -0.166 F ENDBRANCH 8 31 BRANCH 6 35 ATOM 35 C LIG 1 5.299 -0.677 0.917 0.00 0.00 +0.116 C BRANCH 35 36 ATOM 36 N LIG 1 5.936 -1.079 -0.338 0.00 0.00 -0.307 NA ATOM 37 H LIG 1 5.206 -1.387 -0.981 0.00 0.00 +0.123 HD BRANCH 36 38 ATOM 38 C LIG 1 7.004 -2.072 -0.128 0.00 0.00 +0.017 C ATOM 39 C LIG 1 7.385 -2.639 -1.529 0.00 0.00 +0.022 C ATOM 40 C LIG 1 7.330 -4.048 -0.902 0.00 0.00 +0.004 C ATOM 41 C LIG 1 6.386 -3.468 0.173 0.00 0.00 +0.022 C ATOM 42 C LIG 1 8.175 -1.588 0.708 0.00 0.00 +0.027 C ENDBRANCH 36 38 ENDBRANCH 35 36 ENDBRANCH 6 35 TORSDOF 8