REMARK Name = BDB040890 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 1.708 -1.020 0.974 0.00 0.00 -0.254 N ATOM 2 C LIG 1 2.277 -0.301 -0.094 0.00 0.00 +0.135 A ATOM 3 C LIG 1 1.579 0.583 -0.894 0.00 0.00 +0.025 A ATOM 4 C LIG 1 2.563 1.305 -1.601 0.00 0.00 +0.066 A ATOM 5 N LIG 1 3.793 0.895 -1.275 0.00 0.00 -0.170 NA ATOM 6 C LIG 1 2.377 2.435 -2.544 0.00 0.00 +0.068 C ATOM 7 C LIG 1 0.097 0.703 -0.858 0.00 0.00 +0.083 C ATOM 8 C LIG 1 -0.495 -0.545 -0.170 0.00 0.00 +0.172 C ATOM 9 N LIG 1 3.600 -0.228 -0.525 0.00 0.00 -0.215 N ATOM 10 C LIG 1 0.305 -0.940 1.097 0.00 0.00 +0.242 C ATOM 11 O LIG 1 -0.294 -1.222 2.143 0.00 0.00 -0.273 OA ENDROOT BRANCH 7 12 ATOM 12 C LIG 1 -0.234 2.037 -0.193 0.00 0.00 -0.037 A ATOM 13 C LIG 1 0.250 2.415 1.074 0.00 0.00 +0.007 A ATOM 14 C LIG 1 -0.113 3.639 1.640 0.00 0.00 +0.038 A ATOM 15 C LIG 1 -0.968 4.489 0.952 0.00 0.00 +0.123 A ATOM 16 F LIG 1 -1.317 5.661 1.501 0.00 0.00 -0.205 F ATOM 17 C LIG 1 -1.469 4.140 -0.293 0.00 0.00 +0.038 A ATOM 18 C LIG 1 -1.106 2.918 -0.862 0.00 0.00 +0.007 A ENDBRANCH 7 12 BRANCH 9 19 ATOM 19 C LIG 1 4.670 -1.144 -0.394 0.00 0.00 +0.103 A ATOM 20 C LIG 1 4.436 -2.514 -0.296 0.00 0.00 +0.149 A ATOM 21 F LIG 1 3.198 -3.017 -0.392 0.00 0.00 -0.203 F ATOM 22 C LIG 1 5.497 -3.410 -0.179 0.00 0.00 +0.040 A ATOM 23 C LIG 1 6.809 -2.939 -0.183 0.00 0.00 +0.003 A ATOM 24 C LIG 1 7.056 -1.574 -0.325 0.00 0.00 +0.002 A ATOM 25 C LIG 1 5.992 -0.676 -0.443 0.00 0.00 +0.031 A ENDBRANCH 9 19 BRANCH 8 26 ATOM 26 N LIG 1 -1.911 -0.418 0.182 0.00 0.00 -0.299 N ATOM 27 H LIG 1 -2.150 -0.650 1.141 0.00 0.00 +0.150 HD ATOM 28 C LIG 1 -2.889 -0.300 -0.775 0.00 0.00 +0.245 C ATOM 29 O LIG 1 -2.642 -0.261 -1.975 0.00 0.00 -0.270 OA BRANCH 28 30 ATOM 30 C LIG 1 -4.293 -0.236 -0.285 0.00 0.00 +0.037 A ATOM 31 C LIG 1 -5.316 -0.672 -1.138 0.00 0.00 +0.016 A ATOM 32 C LIG 1 -6.655 -0.621 -0.730 0.00 0.00 -0.050 A ATOM 33 C LIG 1 -7.743 -1.126 -1.631 0.00 0.00 +0.044 C ATOM 34 C LIG 1 -6.958 -0.143 0.551 0.00 0.00 +0.003 A ATOM 35 C LIG 1 -5.944 0.308 1.397 0.00 0.00 +0.001 A ATOM 36 C LIG 1 -4.612 0.269 0.981 0.00 0.00 +0.013 A ENDBRANCH 28 30 ENDBRANCH 8 26 BRANCH 1 38 ATOM 37 C LIG 1 2.263 -2.872 2.575 0.00 0.00 +0.025 C ATOM 38 C LIG 1 2.458 -1.415 2.173 0.00 0.00 +0.112 C ENDBRANCH 1 38 TORSDOF 5