REMARK Name = BDB001164 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.204 -1.279 -1.955 0.00 0.00 +0.237 C ATOM 2 N LIG 1 0.874 -1.528 -2.208 0.00 0.00 -0.295 N ATOM 3 C LIG 1 -0.317 -1.003 -1.522 0.00 0.00 +0.093 C ATOM 4 C LIG 1 -1.496 -1.564 -2.345 0.00 0.00 +0.025 C ATOM 5 C LIG 1 -0.887 -1.869 -3.704 0.00 0.00 +0.021 C ATOM 6 C LIG 1 0.499 -2.365 -3.335 0.00 0.00 +0.108 C ATOM 7 O LIG 1 3.089 -1.957 -2.497 0.00 0.00 -0.274 OA ENDROOT BRANCH 1 8 ATOM 8 C LIG 1 2.612 -0.092 -1.041 0.00 0.00 +0.164 C BRANCH 8 10 ATOM 9 C LIG 1 3.673 -0.989 1.027 0.00 0.00 +0.230 C ATOM 10 N LIG 1 3.769 -0.599 -0.291 0.00 0.00 -0.302 N ATOM 11 H LIG 1 4.464 -1.073 -0.861 0.00 0.00 +0.150 HD ATOM 12 O LIG 1 2.676 -0.794 1.721 0.00 0.00 -0.274 OA BRANCH 9 13 ATOM 13 C LIG 1 4.921 -1.724 1.560 0.00 0.00 +0.137 C ATOM 14 C LIG 1 4.720 -3.223 1.348 0.00 0.00 +0.034 C BRANCH 13 16 ATOM 15 C LIG 1 5.625 -0.116 3.239 0.00 0.00 +0.101 C ATOM 16 N LIG 1 5.099 -1.458 3.004 0.00 0.00 -0.309 NA ATOM 17 H LIG 1 4.172 -1.519 3.438 0.00 0.00 +0.122 HD ENDBRANCH 13 16 ENDBRANCH 9 13 ENDBRANCH 8 10 BRANCH 8 18 ATOM 18 C LIG 1 2.975 1.207 -1.833 0.00 0.00 -0.011 C ATOM 19 C LIG 1 3.429 2.296 -0.835 0.00 0.00 +0.013 C ATOM 20 C LIG 1 1.750 1.756 -2.586 0.00 0.00 +0.013 C ATOM 21 C LIG 1 4.109 0.987 -2.854 0.00 0.00 +0.013 C ENDBRANCH 8 18 ENDBRANCH 1 8 BRANCH 3 22 ATOM 22 C LIG 1 -0.443 -1.441 -0.045 0.00 0.00 +0.126 C BRANCH 22 23 ATOM 23 N LIG 1 -1.662 -0.979 0.596 0.00 0.00 -0.313 N ATOM 24 H LIG 1 -2.325 -1.664 0.938 0.00 0.00 +0.149 HD ATOM 25 C LIG 1 -1.905 0.367 0.830 0.00 0.00 +0.225 C ATOM 26 O LIG 1 -1.113 1.228 0.457 0.00 0.00 -0.275 OA BRANCH 25 27 ATOM 27 C LIG 1 -3.206 0.649 1.621 0.00 0.00 +0.135 C BRANCH 27 28 ATOM 28 C LIG 1 -3.550 2.127 1.806 0.00 0.00 -0.031 A ATOM 29 C LIG 1 -3.960 2.593 3.068 0.00 0.00 +0.005 A ATOM 30 C LIG 1 -4.308 3.931 3.260 0.00 0.00 +0.000 A ATOM 31 C LIG 1 -4.258 4.824 2.193 0.00 0.00 +0.000 A ATOM 32 C LIG 1 -3.865 4.378 0.933 0.00 0.00 +0.000 A ATOM 33 C LIG 1 -3.518 3.040 0.739 0.00 0.00 +0.005 A ENDBRANCH 27 28 BRANCH 27 34 ATOM 34 C LIG 1 -4.406 -0.145 1.095 0.00 0.00 -0.031 A ATOM 35 C LIG 1 -5.182 -0.909 1.981 0.00 0.00 +0.005 A ATOM 36 C LIG 1 -6.274 -1.646 1.517 0.00 0.00 +0.000 A ATOM 37 C LIG 1 -6.606 -1.625 0.165 0.00 0.00 +0.000 A ATOM 38 C LIG 1 -5.852 -0.863 -0.725 0.00 0.00 +0.000 A ATOM 39 C LIG 1 -4.762 -0.123 -0.263 0.00 0.00 +0.005 A ENDBRANCH 27 34 ENDBRANCH 25 27 ENDBRANCH 22 23 ENDBRANCH 3 22 TORSDOF 10