REMARK Name = BDB005792 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.369 -0.586 0.001 0.00 0.00 +0.200 A ATOM 2 N LIG 1 0.083 -0.537 -0.502 0.00 0.00 -0.310 N ATOM 3 C LIG 1 -0.533 -1.742 -0.211 0.00 0.00 +0.096 A ATOM 4 C LIG 1 0.427 -2.426 0.537 0.00 0.00 +0.095 A ATOM 5 C LIG 1 0.156 -3.690 1.056 0.00 0.00 +0.061 A ATOM 6 C LIG 1 -1.101 -4.186 0.776 0.00 0.00 +0.112 A ATOM 7 N LIG 1 -2.049 -3.544 0.044 0.00 0.00 -0.241 NA ATOM 8 C LIG 1 -1.784 -2.314 -0.471 0.00 0.00 +0.099 A ATOM 9 N LIG 1 1.579 -1.699 0.657 0.00 0.00 -0.214 NA ENDROOT BRANCH 1 17 ATOM 10 C LIG 1 5.113 -0.539 -2.510 0.00 0.00 +0.039 C ATOM 11 C LIG 1 4.281 -0.516 -1.236 0.00 0.00 +0.133 C ATOM 12 O LIG 1 5.112 0.004 -0.187 0.00 0.00 -0.370 OA ATOM 13 C LIG 1 4.412 -0.033 1.068 0.00 0.00 +0.139 C ATOM 14 C LIG 1 3.071 0.728 1.039 0.00 0.00 +0.105 C ATOM 15 C LIG 1 3.464 2.209 1.137 0.00 0.00 +0.025 C ATOM 16 C LIG 1 4.878 2.230 1.725 0.00 0.00 +0.004 C ATOM 17 N LIG 1 2.237 0.452 -0.158 0.00 0.00 -0.293 N ATOM 18 C LIG 1 5.215 0.781 2.075 0.00 0.00 +0.033 C ATOM 19 C LIG 1 3.040 0.380 -1.408 0.00 0.00 +0.139 C ENDBRANCH 1 17 BRANCH 6 20 ATOM 20 C LIG 1 -1.495 -5.513 1.278 0.00 0.00 +0.201 A ATOM 21 N LIG 1 -2.716 -5.984 0.992 0.00 0.00 -0.270 N ATOM 22 H LIG 1 -3.429 -5.526 0.451 0.00 0.00 +0.174 HD ATOM 23 C LIG 1 -2.808 -7.192 1.562 0.00 0.00 +0.440 A ATOM 24 O LIG 1 -3.774 -7.936 1.520 0.00 0.00 -0.221 OA ATOM 25 O LIG 1 -1.623 -7.458 2.207 0.00 0.00 -0.295 OA ATOM 26 N LIG 1 -0.781 -6.318 1.993 0.00 0.00 -0.053 NA ENDBRANCH 6 20 BRANCH 8 27 ATOM 27 C LIG 1 -2.842 -1.726 -1.271 0.00 0.00 +0.022 A ATOM 28 C LIG 1 -2.795 -1.721 -2.671 0.00 0.00 +0.033 A ATOM 29 C LIG 1 -3.840 -1.156 -3.397 0.00 0.00 +0.060 A ATOM 30 CL LIG 1 -3.788 -1.119 -5.111 0.00 0.00 -0.082 Cl ATOM 31 C LIG 1 -4.913 -0.618 -2.704 0.00 0.00 +0.130 A ATOM 32 N LIG 1 -5.007 -0.617 -1.354 0.00 0.00 -0.261 NA ATOM 33 C LIG 1 -3.980 -1.183 -0.674 0.00 0.00 +0.120 A ENDBRANCH 8 27 BRANCH 2 34 ATOM 34 C LIG 1 -0.504 0.621 -1.156 0.00 0.00 +0.128 C BRANCH 34 35 ATOM 35 C LIG 1 -1.409 1.465 -0.240 0.00 0.00 +0.009 C ATOM 36 C LIG 1 -2.230 2.447 -1.090 0.00 0.00 +0.005 C ATOM 37 C LIG 1 -3.128 3.333 -0.230 0.00 0.00 +0.003 C ATOM 38 C LIG 1 -2.321 4.093 0.829 0.00 0.00 -0.014 C ATOM 39 C LIG 1 -3.242 4.937 1.706 0.00 0.00 +0.007 C ATOM 40 C LIG 1 -1.498 3.122 1.683 0.00 0.00 +0.003 C ATOM 41 C LIG 1 -0.604 2.227 0.826 0.00 0.00 +0.005 C ENDBRANCH 34 35 ENDBRANCH 2 34 TORSDOF 5