REMARK Name = BDB032404 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.244 1.987 -0.582 0.00 0.00 -0.043 A ATOM 2 C LIG 1 0.304 2.786 0.428 0.00 0.00 +0.042 A ATOM 3 C LIG 1 1.683 2.815 0.628 0.00 0.00 +0.128 A ATOM 4 F LIG 1 2.174 3.600 1.597 0.00 0.00 -0.205 F ATOM 5 C LIG 1 2.548 2.049 -0.155 0.00 0.00 +0.005 A ATOM 6 C LIG 1 1.997 1.254 -1.172 0.00 0.00 +0.008 A ATOM 7 C LIG 1 0.615 1.219 -1.379 0.00 0.00 +0.004 A ENDROOT BRANCH 1 8 ATOM 8 C LIG 1 -1.739 1.936 -0.793 0.00 0.00 +0.050 C BRANCH 8 9 ATOM 9 C LIG 1 -2.390 0.821 0.043 0.00 0.00 +0.089 C BRANCH 9 13 ATOM 10 N LIG 1 -6.468 -0.274 -0.551 0.00 0.00 -0.294 NA ATOM 11 C LIG 1 -5.242 -0.881 -1.122 0.00 0.00 +0.072 C ATOM 12 C LIG 1 -4.275 0.287 -1.465 0.00 0.00 +0.103 C ATOM 13 N LIG 1 -3.847 0.799 -0.126 0.00 0.00 -0.296 NA ATOM 14 C LIG 1 -4.525 -0.140 0.815 0.00 0.00 +0.072 C ATOM 15 C LIG 1 -4.515 -1.468 0.077 0.00 0.00 +0.040 C ATOM 16 C LIG 1 -6.051 0.160 0.804 0.00 0.00 +0.104 C BRANCH 10 18 ATOM 17 C LIG 1 -7.711 -2.431 -0.020 0.00 0.00 +0.024 C ATOM 18 C LIG 1 -7.705 -1.044 -0.668 0.00 0.00 +0.051 C ATOM 19 C LIG 1 -8.894 -0.220 -0.158 0.00 0.00 +0.024 C ENDBRANCH 10 18 ENDBRANCH 9 13 ENDBRANCH 8 9 ENDBRANCH 1 8 BRANCH 5 20 ATOM 20 C LIG 1 4.039 2.116 0.061 0.00 0.00 +0.139 C BRANCH 20 21 ATOM 21 N LIG 1 4.580 0.764 0.186 0.00 0.00 -0.339 N ATOM 22 H LIG 1 4.038 0.223 0.856 0.00 0.00 +0.146 HD BRANCH 21 23 ATOM 23 C LIG 1 5.959 0.562 0.406 0.00 0.00 +0.035 A ATOM 24 C LIG 1 6.445 -0.760 0.667 0.00 0.00 +0.008 A ATOM 25 C LIG 1 7.830 -0.977 0.871 0.00 0.00 +0.023 A ATOM 26 C LIG 1 8.267 -2.294 1.140 0.00 0.00 +0.124 A ATOM 27 N LIG 1 7.446 -3.356 1.224 0.00 0.00 -0.240 NA ATOM 28 C LIG 1 6.138 -3.133 1.011 0.00 0.00 +0.113 A ATOM 29 C LIG 1 8.713 0.119 0.794 0.00 0.00 +0.012 A ATOM 30 C LIG 1 8.250 1.393 0.488 0.00 0.00 +0.003 A ATOM 31 C LIG 1 5.604 -1.888 0.730 0.00 0.00 +0.030 A ATOM 32 C LIG 1 6.890 1.605 0.279 0.00 0.00 +0.023 A BRANCH 26 33 ATOM 33 N LIG 1 9.618 -2.600 1.341 0.00 0.00 -0.343 N ATOM 34 H LIG 1 10.165 -2.319 0.534 0.00 0.00 +0.144 HD ATOM 35 H LIG 1 9.655 -3.607 1.478 0.00 0.00 +0.144 HD ENDBRANCH 26 33 ENDBRANCH 21 23 ENDBRANCH 20 21 ENDBRANCH 5 20 TORSDOF 8