REMARK Name = BDB022757 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.093 1.273 2.662 0.00 0.00 +0.101 A ATOM 2 C LIG 1 1.778 1.855 1.553 0.00 0.00 +0.080 A ATOM 3 C LIG 1 0.820 2.636 0.933 0.00 0.00 +0.122 A ATOM 4 N LIG 1 -0.347 2.429 1.608 0.00 0.00 -0.266 N ATOM 5 N LIG 1 -0.206 1.618 2.673 0.00 0.00 -0.173 NA ENDROOT BRANCH 2 6 ATOM 6 C LIG 1 3.156 1.736 1.115 0.00 0.00 +0.248 C ATOM 7 N LIG 1 3.683 0.474 1.233 0.00 0.00 -0.306 N ATOM 8 H LIG 1 3.064 -0.314 1.397 0.00 0.00 +0.149 HD ATOM 9 O LIG 1 3.772 2.676 0.625 0.00 0.00 -0.270 OA BRANCH 7 10 ATOM 10 C LIG 1 4.971 0.124 0.662 0.00 0.00 +0.163 C BRANCH 10 11 ATOM 11 C LIG 1 5.011 -1.339 0.279 0.00 0.00 +0.097 A ATOM 12 C LIG 1 6.071 -1.819 -0.483 0.00 0.00 +0.187 A ATOM 13 F LIG 1 7.053 -0.989 -0.865 0.00 0.00 -0.200 F ATOM 14 C LIG 1 6.093 -3.161 -0.864 0.00 0.00 +0.158 A ATOM 15 C LIG 1 5.046 -3.986 -0.460 0.00 0.00 +0.068 A ATOM 16 C LIG 1 4.032 -3.436 0.316 0.00 0.00 +0.115 A ATOM 17 N LIG 1 3.987 -2.140 0.698 0.00 0.00 -0.255 NA BRANCH 14 18 ATOM 18 O LIG 1 7.165 -3.549 -1.623 0.00 0.00 -0.492 OA ATOM 19 C LIG 1 7.176 -4.887 -2.106 0.00 0.00 +0.277 C ENDBRANCH 14 18 ENDBRANCH 10 11 ENDBRANCH 7 10 ENDBRANCH 2 6 BRANCH 1 20 ATOM 20 C LIG 1 1.661 0.395 3.744 0.00 0.00 +0.217 C BRANCH 20 22 ATOM 21 C LIG 1 1.733 1.937 5.555 0.00 0.00 +0.194 C ATOM 22 O LIG 1 1.210 0.706 5.075 0.00 0.00 -0.377 OA ENDBRANCH 20 22 ENDBRANCH 1 20 BRANCH 4 23 ATOM 23 C LIG 1 -1.645 3.015 1.300 0.00 0.00 +0.178 C BRANCH 23 24 ATOM 24 C LIG 1 -2.350 2.246 0.210 0.00 0.00 -0.026 A ATOM 25 C LIG 1 -2.401 2.741 -1.100 0.00 0.00 +0.006 A ATOM 26 C LIG 1 -3.047 2.017 -2.107 0.00 0.00 +0.006 A ATOM 27 C LIG 1 -3.646 0.782 -1.825 0.00 0.00 -0.028 A ATOM 28 C LIG 1 -3.593 0.287 -0.516 0.00 0.00 +0.006 A ATOM 29 C LIG 1 -2.953 1.011 0.492 0.00 0.00 +0.006 A BRANCH 27 30 ATOM 30 C LIG 1 -4.351 -0.004 -2.909 0.00 0.00 +0.160 C BRANCH 30 31 ATOM 31 N LIG 1 -5.807 0.060 -2.789 0.00 0.00 -0.308 N ATOM 32 C LIG 1 -6.483 -1.022 -2.223 0.00 0.00 +0.252 A ATOM 33 O LIG 1 -5.949 -2.060 -1.843 0.00 0.00 -0.268 OA ATOM 34 C LIG 1 -7.966 -0.879 -2.105 0.00 0.00 +0.073 A ATOM 35 C LIG 1 -8.577 0.226 -2.557 0.00 0.00 +0.045 A ATOM 36 C LIG 1 -7.809 1.293 -3.137 0.00 0.00 +0.140 A ATOM 37 F LIG 1 -8.458 2.383 -3.600 0.00 0.00 -0.204 F ATOM 38 C LIG 1 -6.478 1.194 -3.232 0.00 0.00 +0.127 A ENDBRANCH 30 31 ENDBRANCH 27 30 ENDBRANCH 23 24 ENDBRANCH 4 23 TORSDOF 10