REMARK Name = BDB029074 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.379 4.941 0.152 0.00 0.00 +0.086 C ATOM 2 C LIG 1 2.760 3.479 0.088 0.00 0.00 +0.111 A ATOM 3 N LIG 1 3.816 3.046 0.899 0.00 0.00 -0.299 N ATOM 4 C LIG 1 4.511 3.967 1.786 0.00 0.00 +0.153 C ATOM 5 C LIG 1 4.256 1.710 0.898 0.00 0.00 +0.264 A ATOM 6 O LIG 1 5.178 1.288 1.588 0.00 0.00 -0.267 OA ATOM 7 C LIG 1 3.516 0.862 -0.010 0.00 0.00 +0.091 A ATOM 8 C LIG 1 3.588 -0.515 -0.363 0.00 0.00 +0.014 A ATOM 9 C LIG 1 2.614 -0.725 -1.326 0.00 0.00 +0.097 A ATOM 10 N LIG 1 1.967 0.467 -1.552 0.00 0.00 -0.322 N ATOM 11 C LIG 1 2.507 1.432 -0.749 0.00 0.00 +0.149 A ATOM 12 N LIG 1 2.082 2.714 -0.724 0.00 0.00 -0.216 NA ENDROOT BRANCH 8 13 ATOM 13 C LIG 1 4.449 -1.578 0.128 0.00 0.00 -0.013 A ATOM 14 C LIG 1 5.138 -2.403 -0.772 0.00 0.00 +0.025 A ATOM 15 C LIG 1 5.965 -3.436 -0.304 0.00 0.00 +0.080 A ATOM 16 C LIG 1 6.124 -3.625 1.080 0.00 0.00 +0.147 A ATOM 17 C LIG 1 5.430 -2.805 1.975 0.00 0.00 +0.084 A ATOM 18 CL LIG 1 5.574 -3.011 3.685 0.00 0.00 -0.080 Cl ATOM 19 C LIG 1 4.594 -1.790 1.502 0.00 0.00 +0.032 A BRANCH 15 20 ATOM 20 C LIG 1 6.690 -4.322 -1.252 0.00 0.00 +0.245 C ATOM 21 O LIG 1 7.646 -4.990 -0.873 0.00 0.00 -0.270 OA ATOM 22 N LIG 1 6.239 -4.412 -2.539 0.00 0.00 -0.325 N ATOM 23 H LIG 1 5.310 -4.122 -2.812 0.00 0.00 +0.145 HD ATOM 24 H LIG 1 6.682 -5.118 -3.114 0.00 0.00 +0.145 HD ENDBRANCH 15 20 BRANCH 16 25 ATOM 25 O LIG 1 6.944 -4.604 1.588 0.00 0.00 -0.505 OA ATOM 26 H LIG 1 7.467 -4.991 0.851 0.00 0.00 +0.292 HD ENDBRANCH 16 25 ENDBRANCH 8 13 BRANCH 10 27 ATOM 27 C LIG 1 0.894 0.677 -2.507 0.00 0.00 +0.219 C BRANCH 27 28 ATOM 28 C LIG 1 -0.472 0.456 -1.889 0.00 0.00 +0.237 C ATOM 29 N LIG 1 -0.782 1.345 -0.874 0.00 0.00 -0.283 N ATOM 30 H LIG 1 -0.069 2.039 -0.636 0.00 0.00 +0.155 HD ATOM 31 O LIG 1 -1.210 -0.425 -2.325 0.00 0.00 -0.274 OA BRANCH 29 32 ATOM 32 C LIG 1 -1.965 1.396 -0.090 0.00 0.00 +0.057 A ATOM 33 C LIG 1 -2.086 2.387 0.884 0.00 0.00 +0.080 A ATOM 34 CL LIG 1 -0.854 3.556 1.174 0.00 0.00 -0.080 Cl ATOM 35 C LIG 1 -3.241 2.422 1.643 0.00 0.00 +0.134 A ATOM 36 N LIG 1 -4.268 1.555 1.497 0.00 0.00 -0.239 NA ATOM 37 C LIG 1 -4.173 0.593 0.554 0.00 0.00 +0.123 A ATOM 38 C LIG 1 -3.022 0.491 -0.236 0.00 0.00 +0.068 A BRANCH 37 39 ATOM 39 N LIG 1 -5.218 -0.308 0.424 0.00 0.00 -0.313 N ATOM 40 C LIG 1 -5.563 -0.866 -0.894 0.00 0.00 +0.122 C ATOM 41 C LIG 1 -7.092 -0.852 -1.132 0.00 0.00 +0.103 C ATOM 42 N LIG 1 -7.872 -1.576 -0.106 0.00 0.00 -0.302 NA ATOM 43 C LIG 1 -9.273 -1.168 -0.144 0.00 0.00 +0.105 C ATOM 44 C LIG 1 -7.285 -1.402 1.241 0.00 0.00 +0.103 C ATOM 45 C LIG 1 -6.316 -0.207 1.396 0.00 0.00 +0.122 C ENDBRANCH 37 39 ENDBRANCH 29 32 ENDBRANCH 27 28 ENDBRANCH 10 27 TORSDOF 7