REMARK Name = BDB026066 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.385 0.126 -0.389 0.00 0.00 +0.022 A ATOM 2 C LIG 1 1.111 1.193 -1.258 0.00 0.00 +0.133 A ATOM 3 F LIG 1 2.118 1.866 -1.837 0.00 0.00 -0.205 F ATOM 4 C LIG 1 -0.190 1.613 -1.539 0.00 0.00 +0.064 A ATOM 5 C LIG 1 -1.280 0.967 -0.954 0.00 0.00 +0.054 A ATOM 6 C LIG 1 -1.027 -0.107 -0.066 0.00 0.00 +0.056 A ATOM 7 C LIG 1 0.283 -0.520 0.203 0.00 0.00 +0.036 A ENDROOT BRANCH 5 8 ATOM 8 N LIG 1 -2.618 1.365 -1.167 0.00 0.00 -0.326 N ATOM 9 C LIG 1 -3.017 1.573 -2.580 0.00 0.00 +0.123 C ATOM 10 C LIG 1 -4.412 2.260 -2.650 0.00 0.00 +0.071 C ATOM 11 C LIG 1 -4.971 2.176 -4.075 0.00 0.00 +0.026 C ATOM 12 N LIG 1 -4.427 3.614 -2.030 0.00 0.00 -0.300 NA ATOM 13 C LIG 1 -4.347 4.737 -2.963 0.00 0.00 +0.105 C ATOM 14 C LIG 1 -3.379 3.752 -0.989 0.00 0.00 +0.103 C ATOM 15 C LIG 1 -3.056 2.443 -0.238 0.00 0.00 +0.120 C ENDBRANCH 5 8 BRANCH 1 19 ATOM 16 C LIG 1 5.355 -1.106 0.452 0.00 0.00 +0.218 A ATOM 17 N LIG 1 4.463 -1.047 1.454 0.00 0.00 -0.222 NA ATOM 18 C LIG 1 3.204 -0.651 1.160 0.00 0.00 +0.124 A ATOM 19 C LIG 1 2.761 -0.302 -0.099 0.00 0.00 +0.021 A ATOM 20 C LIG 1 3.754 -0.400 -1.053 0.00 0.00 +0.124 A ATOM 21 N LIG 1 5.026 -0.793 -0.809 0.00 0.00 -0.222 NA BRANCH 16 27 ATOM 22 C LIG 1 9.867 0.059 -0.553 0.00 0.00 +0.039 C ATOM 23 C LIG 1 8.752 -0.294 0.423 0.00 0.00 +0.133 C ATOM 24 O LIG 1 9.370 -0.870 1.591 0.00 0.00 -0.374 OA ATOM 25 C LIG 1 8.527 -1.804 2.286 0.00 0.00 +0.179 C ATOM 26 C LIG 1 7.028 -1.499 2.148 0.00 0.00 +0.136 C ATOM 27 N LIG 1 6.641 -1.533 0.732 0.00 0.00 -0.295 N ATOM 28 C LIG 1 7.707 -1.225 -0.231 0.00 0.00 +0.139 C ENDBRANCH 16 27 ENDBRANCH 1 19 BRANCH 6 29 ATOM 29 N LIG 1 -2.171 -0.715 0.491 0.00 0.00 -0.280 N ATOM 30 H LIG 1 -3.033 -0.296 0.146 0.00 0.00 +0.155 HD ATOM 31 C LIG 1 -2.236 -1.680 1.463 0.00 0.00 +0.250 C ATOM 32 O LIG 1 -1.306 -2.197 2.069 0.00 0.00 -0.270 OA BRANCH 31 33 ATOM 33 C LIG 1 -3.639 -2.044 1.823 0.00 0.00 +0.062 A ATOM 34 C LIG 1 -4.142 -1.883 3.179 0.00 0.00 +0.036 A ATOM 35 C LIG 1 -5.408 -2.243 3.456 0.00 0.00 +0.080 A ATOM 36 C LIG 1 -6.299 -2.805 2.406 0.00 0.00 +0.252 A ATOM 37 O LIG 1 -7.448 -3.113 2.702 0.00 0.00 -0.268 OA ATOM 38 N LIG 1 -5.734 -2.935 1.138 0.00 0.00 -0.318 N ATOM 39 C LIG 1 -6.537 -3.487 0.058 0.00 0.00 +0.152 C ATOM 40 C LIG 1 -4.427 -2.563 0.868 0.00 0.00 +0.102 A BRANCH 34 41 ATOM 41 C LIG 1 -3.228 -1.289 4.212 0.00 0.00 +0.372 C ATOM 42 F LIG 1 -3.865 -1.132 5.407 0.00 0.00 -0.204 F ATOM 43 F LIG 1 -2.840 -0.038 3.840 0.00 0.00 -0.204 F ENDBRANCH 34 41 ENDBRANCH 31 33 ENDBRANCH 6 29 TORSDOF 6