REMARK Name = BDB027363 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.175 0.688 0.401 0.00 0.00 -0.003 A ATOM 2 C LIG 1 -1.315 0.902 -0.687 0.00 0.00 +0.053 A ATOM 3 C LIG 1 -1.478 2.101 -1.384 0.00 0.00 +0.134 A ATOM 4 N LIG 1 -2.392 3.057 -1.090 0.00 0.00 -0.253 NA ATOM 5 C LIG 1 -3.220 2.837 -0.043 0.00 0.00 +0.071 A ATOM 6 C LIG 1 -3.129 1.673 0.720 0.00 0.00 +0.035 A ENDROOT BRANCH 5 7 ATOM 7 C LIG 1 -4.197 3.911 0.237 0.00 0.00 +0.001 A ATOM 8 C LIG 1 -5.474 3.643 0.772 0.00 0.00 +0.013 A ATOM 9 C LIG 1 -6.381 4.675 1.035 0.00 0.00 +0.039 A ATOM 10 C LIG 1 -6.026 5.989 0.761 0.00 0.00 +0.123 A ATOM 11 F LIG 1 -6.895 6.975 1.014 0.00 0.00 -0.205 F ATOM 12 C LIG 1 -4.783 6.290 0.225 0.00 0.00 +0.039 A ATOM 13 C LIG 1 -3.878 5.257 -0.037 0.00 0.00 +0.013 A ENDBRANCH 5 7 BRANCH 2 14 ATOM 14 N LIG 1 -0.347 -0.064 -1.015 0.00 0.00 -0.326 N ATOM 15 C LIG 1 0.994 0.283 -0.468 0.00 0.00 +0.133 C ATOM 16 C LIG 1 2.130 -0.647 -1.026 0.00 0.00 +0.075 C ATOM 17 C LIG 1 1.526 -1.976 -1.534 0.00 0.00 +0.031 C ATOM 18 C LIG 1 0.431 -1.769 -2.590 0.00 0.00 +0.021 C ATOM 19 C LIG 1 -0.316 -0.441 -2.438 0.00 0.00 +0.105 C BRANCH 16 20 ATOM 20 C LIG 1 3.187 -0.859 0.072 0.00 0.00 +0.063 A ATOM 21 N LIG 1 4.349 -0.156 -0.059 0.00 0.00 -0.254 NA ATOM 22 C LIG 1 5.317 -0.281 0.884 0.00 0.00 +0.045 A ATOM 23 C LIG 1 5.138 -1.118 1.983 0.00 0.00 +0.023 A ATOM 24 C LIG 1 3.948 -1.822 2.128 0.00 0.00 +0.004 A ATOM 25 C LIG 1 2.957 -1.689 1.165 0.00 0.00 +0.025 A BRANCH 22 26 ATOM 26 C LIG 1 6.598 0.498 0.703 0.00 0.00 +0.038 C ATOM 27 C LIG 1 6.536 1.972 0.373 0.00 0.00 +0.010 C ATOM 28 C LIG 1 7.015 1.533 1.724 0.00 0.00 +0.010 C ENDBRANCH 22 26 ENDBRANCH 16 20 BRANCH 16 29 ATOM 29 N LIG 1 2.771 0.003 -2.217 0.00 0.00 -0.319 NA ATOM 30 H LIG 1 3.299 0.799 -1.842 0.00 0.00 +0.119 HD ATOM 31 H LIG 1 3.521 -0.623 -2.521 0.00 0.00 +0.119 HD ENDBRANCH 16 29 ENDBRANCH 2 14 BRANCH 1 32 ATOM 32 C LIG 1 -2.095 -0.564 1.244 0.00 0.00 +0.161 C BRANCH 32 37 ATOM 33 C LIG 1 -1.803 -5.172 -0.208 0.00 0.00 +0.147 A ATOM 34 C LIG 1 -2.297 -3.857 -0.191 0.00 0.00 +0.147 A ATOM 35 N LIG 1 -3.302 -3.233 -0.901 0.00 0.00 -0.231 NA ATOM 36 C LIG 1 -3.309 -1.995 -0.452 0.00 0.00 +0.202 A ATOM 37 N LIG 1 -2.353 -1.790 0.508 0.00 0.00 -0.310 N ATOM 38 C LIG 1 -1.709 -2.983 0.710 0.00 0.00 +0.166 A ATOM 39 N LIG 1 -0.730 -3.259 1.590 0.00 0.00 -0.216 NA ATOM 40 C LIG 1 -0.357 -4.552 1.496 0.00 0.00 +0.225 A ATOM 41 N LIG 1 -0.827 -5.508 0.666 0.00 0.00 -0.219 NA BRANCH 33 42 ATOM 42 N LIG 1 -2.286 -6.154 -1.063 0.00 0.00 -0.341 N ATOM 43 H LIG 1 -2.117 -7.086 -0.709 0.00 0.00 +0.144 HD ATOM 44 H LIG 1 -3.209 -5.946 -1.429 0.00 0.00 +0.144 HD ENDBRANCH 33 42 ENDBRANCH 32 37 ENDBRANCH 1 32 TORSDOF 8