REMARK Name = BDB050763 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.522 -0.442 0.568 0.00 0.00 +0.032 A ATOM 2 C LIG 1 0.766 -0.622 0.033 0.00 0.00 +0.034 A ATOM 3 C LIG 1 1.889 0.005 0.598 0.00 0.00 +0.019 A ATOM 4 C LIG 1 1.703 0.819 1.722 0.00 0.00 +0.011 A ATOM 5 C LIG 1 0.438 0.982 2.284 0.00 0.00 +0.002 A ATOM 6 C LIG 1 -0.665 0.342 1.718 0.00 0.00 +0.023 A ENDROOT BRANCH 3 7 ATOM 7 C LIG 1 3.241 -0.161 0.056 0.00 0.00 +0.139 A ATOM 8 N LIG 1 3.624 -1.171 -0.796 0.00 0.00 -0.338 N ATOM 9 H LIG 1 3.029 -1.913 -1.130 0.00 0.00 +0.167 HD ATOM 10 C LIG 1 4.955 -1.024 -1.095 0.00 0.00 +0.067 A ATOM 11 C LIG 1 5.354 0.091 -0.363 0.00 0.00 +0.102 A ATOM 12 C LIG 1 6.695 0.506 -0.451 0.00 0.00 +0.064 A ATOM 13 C LIG 1 7.582 -0.214 -1.274 0.00 0.00 +0.015 A ATOM 14 C LIG 1 7.143 -1.328 -1.993 0.00 0.00 +0.003 A ATOM 15 C LIG 1 5.814 -1.760 -1.916 0.00 0.00 +0.028 A ATOM 16 N LIG 1 4.279 0.610 0.322 0.00 0.00 -0.227 NA BRANCH 12 17 ATOM 17 C LIG 1 7.175 1.667 0.323 0.00 0.00 +0.244 C ATOM 18 O LIG 1 6.905 1.842 1.502 0.00 0.00 -0.270 OA ATOM 19 N LIG 1 7.970 2.551 -0.358 0.00 0.00 -0.325 N ATOM 20 H LIG 1 7.973 2.575 -1.368 0.00 0.00 +0.145 HD ATOM 21 H LIG 1 8.170 3.414 0.131 0.00 0.00 +0.145 HD ENDBRANCH 12 17 ENDBRANCH 3 7 BRANCH 1 22 ATOM 22 N LIG 1 -1.605 -1.154 -0.015 0.00 0.00 -0.313 N ATOM 23 H LIG 1 -1.489 -1.194 -1.025 0.00 0.00 +0.152 HD BRANCH 22 36 ATOM 24 C LIG 1 -4.129 1.671 -2.143 0.00 0.00 +0.121 A ATOM 25 C LIG 1 -3.299 0.772 -1.470 0.00 0.00 +0.057 A ATOM 26 C LIG 1 -3.775 -0.030 -0.401 0.00 0.00 +0.026 A ATOM 27 C LIG 1 -5.116 0.106 -0.006 0.00 0.00 +0.074 A ATOM 28 N LIG 1 -5.656 -0.586 1.007 0.00 0.00 -0.247 NA ATOM 29 C LIG 1 -4.900 -1.451 1.698 0.00 0.00 +0.073 A ATOM 30 C LIG 1 -3.546 -1.687 1.402 0.00 0.00 +0.022 A ATOM 31 C LIG 1 -2.830 -2.627 2.182 0.00 0.00 +0.012 A ATOM 32 C LIG 1 -3.438 -3.307 3.235 0.00 0.00 +0.001 A ATOM 33 C LIG 1 -4.773 -3.063 3.521 0.00 0.00 +0.002 A ATOM 34 C LIG 1 -5.486 -2.142 2.751 0.00 0.00 +0.028 A ATOM 35 C LIG 1 -5.928 1.002 -0.687 0.00 0.00 +0.032 A ATOM 36 C LIG 1 -2.985 -0.968 0.315 0.00 0.00 +0.050 A ATOM 37 C LIG 1 -5.454 1.781 -1.748 0.00 0.00 +0.048 A BRANCH 24 39 ATOM 38 C LIG 1 -4.316 3.338 -3.826 0.00 0.00 +0.277 C ATOM 39 O LIG 1 -3.526 2.365 -3.153 0.00 0.00 -0.495 OA ENDBRANCH 24 39 ENDBRANCH 22 36 ENDBRANCH 1 22 TORSDOF 5