REMARK Name = BDB005913 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.716 -1.441 0.991 0.00 0.00 +0.101 A ATOM 2 C LIG 1 0.368 -1.294 0.645 0.00 0.00 +0.097 A ATOM 3 C LIG 1 -0.578 -2.234 1.050 0.00 0.00 +0.095 A ATOM 4 N LIG 1 -1.825 -1.932 0.577 0.00 0.00 -0.214 NA ATOM 5 C LIG 1 -1.679 -0.829 -0.116 0.00 0.00 +0.200 A ATOM 6 C LIG 1 -0.211 -3.322 1.842 0.00 0.00 +0.061 A ATOM 7 C LIG 1 1.123 -3.385 2.196 0.00 0.00 +0.112 A ATOM 8 N LIG 1 -0.382 -0.361 -0.049 0.00 0.00 -0.310 N ATOM 9 N LIG 1 2.053 -2.485 1.800 0.00 0.00 -0.241 NA ENDROOT BRANCH 5 10 ATOM 10 N LIG 1 -2.646 -0.162 -0.805 0.00 0.00 -0.293 N ATOM 11 C LIG 1 -3.010 -0.833 -2.079 0.00 0.00 +0.105 C ATOM 12 C LIG 1 -4.379 -0.335 -2.562 0.00 0.00 +0.139 C ATOM 13 C LIG 1 -4.442 -0.876 -3.980 0.00 0.00 +0.033 C ATOM 14 C LIG 1 -3.000 -0.761 -4.490 0.00 0.00 +0.004 C ATOM 15 O LIG 1 -5.445 -0.787 -1.732 0.00 0.00 -0.373 OA ATOM 16 C LIG 1 -5.041 -0.841 -0.345 0.00 0.00 +0.179 C ATOM 17 C LIG 1 -2.122 -0.479 -3.262 0.00 0.00 +0.025 C ATOM 18 C LIG 1 -3.875 0.111 0.009 0.00 0.00 +0.136 C ENDBRANCH 5 10 BRANCH 1 20 ATOM 19 C LIG 1 3.303 -0.469 -0.724 0.00 0.00 +0.130 A ATOM 20 C LIG 1 2.814 -0.563 0.600 0.00 0.00 +0.044 A ATOM 21 C LIG 1 3.428 0.229 1.589 0.00 0.00 +0.035 A ATOM 22 C LIG 1 4.443 1.107 1.248 0.00 0.00 +0.060 A ATOM 23 CL LIG 1 5.176 2.106 2.433 0.00 0.00 -0.082 Cl ATOM 24 C LIG 1 4.828 1.170 -0.075 0.00 0.00 +0.133 A ATOM 25 N LIG 1 4.280 0.414 -1.056 0.00 0.00 -0.238 NA BRANCH 19 27 ATOM 26 C LIG 1 3.328 -2.642 -1.649 0.00 0.00 +0.130 C ATOM 27 N LIG 1 2.763 -1.288 -1.750 0.00 0.00 -0.321 N ATOM 28 C LIG 1 2.947 -0.704 -3.082 0.00 0.00 +0.130 C ENDBRANCH 19 27 ENDBRANCH 1 20 BRANCH 7 29 ATOM 29 C LIG 1 1.637 -4.482 3.051 0.00 0.00 +0.201 A ATOM 30 N LIG 1 0.808 -5.279 3.746 0.00 0.00 -0.270 N ATOM 31 H LIG 1 -0.191 -5.259 3.840 0.00 0.00 +0.174 HD ATOM 32 C LIG 1 1.579 -6.138 4.429 0.00 0.00 +0.440 A ATOM 33 O LIG 1 1.174 -6.998 5.194 0.00 0.00 -0.221 OA ATOM 34 O LIG 1 2.891 -5.884 4.130 0.00 0.00 -0.295 OA ATOM 35 N LIG 1 2.885 -4.777 3.224 0.00 0.00 -0.053 NA ENDBRANCH 7 29 BRANCH 8 36 ATOM 36 C LIG 1 0.061 0.921 -0.567 0.00 0.00 +0.128 C BRANCH 36 37 ATOM 37 C LIG 1 0.272 1.994 0.517 0.00 0.00 +0.009 C ATOM 38 C LIG 1 -1.057 2.464 1.130 0.00 0.00 +0.005 C ATOM 39 C LIG 1 -0.847 3.580 2.153 0.00 0.00 +0.003 C ATOM 40 C LIG 1 -0.077 4.763 1.556 0.00 0.00 -0.014 C ATOM 41 C LIG 1 0.164 5.838 2.614 0.00 0.00 +0.007 C ATOM 42 C LIG 1 1.250 4.295 0.949 0.00 0.00 +0.003 C ATOM 43 C LIG 1 1.036 3.187 -0.079 0.00 0.00 +0.005 C ENDBRANCH 36 37 ENDBRANCH 8 36 TORSDOF 6