REMARK Name = BDB018092 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.442 -1.251 -2.533 0.00 0.00 +0.005 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -1.689 -2.574 -3.299 0.00 0.00 +0.007 C BRANCH 2 4 ATOM 3 C LIG 1 -3.471 -3.495 -1.713 0.00 0.00 +0.007 C ATOM 4 C LIG 1 -3.103 -3.183 -3.164 0.00 0.00 -0.017 C ATOM 5 C LIG 1 -3.191 -4.462 -4.005 0.00 0.00 +0.007 C ENDBRANCH 2 4 ENDBRANCH 1 2 BRANCH 1 6 ATOM 6 C LIG 1 -2.278 -0.093 -3.118 0.00 0.00 +0.078 C BRANCH 6 7 ATOM 7 C LIG 1 -2.500 0.982 -2.078 0.00 0.00 +0.111 A ATOM 8 N LIG 1 -3.548 0.777 -1.222 0.00 0.00 -0.310 N ATOM 9 H LIG 1 -4.157 -0.023 -1.323 0.00 0.00 +0.170 HD ATOM 10 C LIG 1 -3.878 1.646 -0.213 0.00 0.00 +0.259 A ATOM 11 O LIG 1 -4.844 1.459 0.516 0.00 0.00 -0.267 OA ATOM 12 C LIG 1 -2.995 2.814 -0.069 0.00 0.00 +0.065 A ATOM 13 C LIG 1 -1.940 2.939 -0.979 0.00 0.00 +0.078 A ATOM 14 C LIG 1 -1.085 4.035 -0.862 0.00 0.00 +0.028 A ATOM 15 C LIG 1 -1.282 4.986 0.143 0.00 0.00 +0.002 A ATOM 16 C LIG 1 -2.339 4.847 1.045 0.00 0.00 +0.001 A ATOM 17 C LIG 1 -3.203 3.758 0.942 0.00 0.00 +0.015 A ATOM 18 N LIG 1 -1.702 1.997 -1.994 0.00 0.00 -0.234 NA ENDBRANCH 6 7 ENDBRANCH 1 6 BRANCH 1 19 ATOM 19 C LIG 1 0.060 -0.886 -2.593 0.00 0.00 +0.100 C BRANCH 19 20 ATOM 20 C LIG 1 0.894 -1.679 -1.596 0.00 0.00 +0.216 C ATOM 21 N LIG 1 0.993 -1.198 -0.296 0.00 0.00 -0.301 N ATOM 22 C LIG 1 0.402 0.060 0.160 0.00 0.00 +0.108 C ATOM 23 C LIG 1 0.626 0.317 1.645 0.00 0.00 +0.030 C ATOM 24 C LIG 1 2.117 0.214 1.999 0.00 0.00 +0.063 C ATOM 25 C LIG 1 2.782 -1.029 1.380 0.00 0.00 +0.030 C ATOM 26 C LIG 1 1.785 -1.945 0.678 0.00 0.00 +0.108 C ATOM 27 O LIG 1 1.440 -2.723 -1.958 0.00 0.00 -0.276 OA BRANCH 24 28 ATOM 28 C LIG 1 2.323 0.226 3.514 0.00 0.00 +0.169 C ATOM 29 O LIG 1 1.434 -0.146 4.279 0.00 0.00 -0.292 OA BRANCH 28 30 ATOM 30 C LIG 1 3.607 0.667 4.044 0.00 0.00 +0.055 A ATOM 31 C LIG 1 4.733 1.090 3.361 0.00 0.00 +0.119 A ATOM 32 N LIG 1 5.668 1.390 4.311 0.00 0.00 -0.274 N ATOM 33 C LIG 1 7.009 1.874 4.091 0.00 0.00 +0.172 C ATOM 34 N LIG 1 5.236 1.190 5.566 0.00 0.00 -0.179 NA ATOM 35 C LIG 1 3.985 0.752 5.404 0.00 0.00 +0.145 A ENDBRANCH 28 30 ENDBRANCH 24 28 ENDBRANCH 19 20 ENDBRANCH 1 19 TORSDOF 8