REMARK Name = BDB022984 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 3.203 0.378 -1.322 0.00 0.00 +0.216 A ATOM 2 N LIG 1 2.024 -0.050 -1.792 0.00 0.00 -0.218 NA ATOM 3 C LIG 1 0.915 0.219 -1.066 0.00 0.00 +0.067 A ATOM 4 C LIG 1 -0.405 -0.272 -1.624 0.00 0.00 +0.163 C ATOM 5 N LIG 1 -1.591 0.139 -0.855 0.00 0.00 -0.292 N ATOM 6 C LIG 1 -1.416 0.236 0.605 0.00 0.00 +0.078 C ATOM 7 C LIG 1 -0.259 1.196 0.934 0.00 0.00 +0.060 C ATOM 8 C LIG 1 -1.207 -1.146 1.238 0.00 0.00 +0.028 C ATOM 9 C LIG 1 -2.788 0.251 -1.558 0.00 0.00 +0.220 C ATOM 10 O LIG 1 -2.817 0.021 -2.770 0.00 0.00 -0.275 OA ATOM 11 C LIG 1 0.972 0.887 0.142 0.00 0.00 -0.005 A ATOM 12 C LIG 1 2.227 1.291 0.535 0.00 0.00 +0.120 A ATOM 13 N LIG 1 3.344 1.041 -0.170 0.00 0.00 -0.223 NA ENDROOT BRANCH 9 14 ATOM 14 C LIG 1 -4.054 0.724 -0.818 0.00 0.00 +0.085 C ATOM 15 C LIG 1 -4.704 -0.409 0.027 0.00 0.00 +0.045 C ATOM 16 C LIG 1 -6.073 -0.867 -0.532 0.00 0.00 +0.093 C ATOM 17 N LIG 1 -5.987 -1.031 -1.979 0.00 0.00 -0.305 NA ATOM 18 C LIG 1 -7.134 -1.751 -2.523 0.00 0.00 +0.104 C ATOM 19 C LIG 1 -5.791 0.250 -2.667 0.00 0.00 +0.085 C ATOM 20 C LIG 1 -5.067 1.308 -1.821 0.00 0.00 +0.029 C BRANCH 15 21 ATOM 21 C LIG 1 -4.887 -0.064 1.504 0.00 0.00 -0.042 A ATOM 22 C LIG 1 -5.383 1.180 1.924 0.00 0.00 +0.004 A ATOM 23 C LIG 1 -5.548 1.461 3.282 0.00 0.00 +0.000 A ATOM 24 C LIG 1 -5.232 0.499 4.239 0.00 0.00 +0.000 A ATOM 25 C LIG 1 -4.760 -0.748 3.838 0.00 0.00 +0.000 A ATOM 26 C LIG 1 -4.595 -1.030 2.481 0.00 0.00 +0.004 A ENDBRANCH 15 21 ENDBRANCH 9 14 BRANCH 1 27 ATOM 27 N LIG 1 4.287 0.081 -2.120 0.00 0.00 -0.311 N ATOM 28 H LIG 1 3.961 -0.613 -2.784 0.00 0.00 +0.149 HD BRANCH 27 32 ATOM 29 C LIG 1 7.707 -0.243 0.522 0.00 0.00 +0.118 C ATOM 30 C LIG 1 7.017 -1.523 0.037 0.00 0.00 +0.033 C ATOM 31 C LIG 1 5.604 -1.255 -0.472 0.00 0.00 +0.025 C ATOM 32 C LIG 1 5.607 -0.173 -1.560 0.00 0.00 +0.073 C ATOM 33 C LIG 1 6.310 1.111 -1.104 0.00 0.00 +0.025 C ATOM 34 C LIG 1 7.716 0.819 -0.584 0.00 0.00 +0.033 C BRANCH 29 36 ATOM 35 C LIG 1 9.677 0.348 1.730 0.00 0.00 +0.194 C ATOM 36 O LIG 1 9.040 -0.607 0.892 0.00 0.00 -0.380 OA ENDBRANCH 29 36 ENDBRANCH 27 32 ENDBRANCH 1 27 TORSDOF 5