REMARK Name = BDB005793 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.555 0.189 0.153 0.00 0.00 +0.200 A ATOM 2 N LIG 1 0.317 0.536 -0.358 0.00 0.00 -0.310 N ATOM 3 C LIG 1 0.116 1.882 -0.090 0.00 0.00 +0.096 A ATOM 4 C LIG 1 1.198 2.213 0.725 0.00 0.00 +0.095 A ATOM 5 C LIG 1 1.308 3.482 1.295 0.00 0.00 +0.061 A ATOM 6 C LIG 1 0.293 4.367 0.990 0.00 0.00 +0.112 A ATOM 7 N LIG 1 -0.738 4.071 0.164 0.00 0.00 -0.241 NA ATOM 8 C LIG 1 -0.842 2.847 -0.420 0.00 0.00 +0.099 A ATOM 9 N LIG 1 2.080 1.176 0.836 0.00 0.00 -0.214 NA ENDROOT BRANCH 1 17 ATOM 10 C LIG 1 5.918 -1.502 -0.671 0.00 0.00 +0.039 C ATOM 11 C LIG 1 4.585 -1.566 0.066 0.00 0.00 +0.133 C ATOM 12 O LIG 1 4.335 -2.947 0.362 0.00 0.00 -0.371 OA ATOM 13 C LIG 1 2.955 -3.284 0.570 0.00 0.00 +0.136 C ATOM 14 C LIG 1 2.469 -4.079 -0.644 0.00 0.00 +0.040 C ATOM 15 C LIG 1 2.017 -2.088 0.902 0.00 0.00 +0.102 C ATOM 16 C LIG 1 2.237 -1.605 2.344 0.00 0.00 +0.030 C ATOM 17 N LIG 1 2.140 -1.007 -0.116 0.00 0.00 -0.293 N ATOM 18 C LIG 1 3.470 -0.914 -0.766 0.00 0.00 +0.139 C ENDBRANCH 1 17 BRANCH 6 19 ATOM 19 C LIG 1 0.272 5.742 1.548 0.00 0.00 +0.201 A ATOM 20 N LIG 1 1.320 6.247 2.221 0.00 0.00 -0.270 N ATOM 21 H LIG 1 2.221 5.855 2.423 0.00 0.00 +0.174 HD ATOM 22 C LIG 1 0.989 7.499 2.571 0.00 0.00 +0.440 A ATOM 23 O LIG 1 1.705 8.276 3.182 0.00 0.00 -0.221 OA ATOM 24 O LIG 1 -0.280 7.758 2.125 0.00 0.00 -0.295 OA ATOM 25 N LIG 1 -0.714 6.574 1.451 0.00 0.00 -0.053 NA ENDBRANCH 6 19 BRANCH 8 26 ATOM 26 C LIG 1 -1.931 2.703 -1.374 0.00 0.00 +0.022 A ATOM 27 C LIG 1 -1.704 2.442 -2.732 0.00 0.00 +0.033 A ATOM 28 C LIG 1 -2.781 2.323 -3.607 0.00 0.00 +0.060 A ATOM 29 CL LIG 1 -2.518 1.974 -5.266 0.00 0.00 -0.082 Cl ATOM 30 C LIG 1 -4.063 2.481 -3.106 0.00 0.00 +0.130 A ATOM 31 N LIG 1 -4.330 2.755 -1.808 0.00 0.00 -0.261 NA ATOM 32 C LIG 1 -3.259 2.883 -0.984 0.00 0.00 +0.120 A ENDBRANCH 8 26 BRANCH 2 33 ATOM 33 C LIG 1 -0.567 -0.369 -1.073 0.00 0.00 +0.128 C BRANCH 33 34 ATOM 34 C LIG 1 -1.921 -0.651 -0.386 0.00 0.00 +0.009 C ATOM 35 C LIG 1 -1.790 -1.433 0.936 0.00 0.00 +0.005 C ATOM 36 C LIG 1 -1.952 -2.937 0.737 0.00 0.00 +0.003 C ATOM 37 C LIG 1 -3.335 -3.299 0.166 0.00 0.00 -0.014 C ATOM 38 C LIG 1 -4.308 -3.710 1.272 0.00 0.00 +0.007 C ATOM 39 C LIG 1 -3.940 -2.161 -0.675 0.00 0.00 +0.003 C ATOM 40 C LIG 1 -2.855 -1.363 -1.387 0.00 0.00 +0.005 C ENDBRANCH 33 34 ENDBRANCH 2 33 TORSDOF 5