REMARK Name = BDB010429 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.639 -1.687 0.065 0.00 0.00 +0.149 A ATOM 2 C LIG 1 -0.295 -1.381 -0.153 0.00 0.00 +0.129 A ATOM 3 C LIG 1 0.691 -2.236 0.317 0.00 0.00 +0.185 A ATOM 4 N LIG 1 1.939 -1.792 0.013 0.00 0.00 -0.194 NA ATOM 5 C LIG 1 1.763 -0.685 -0.666 0.00 0.00 +0.201 A ATOM 6 N LIG 1 0.451 -3.371 0.986 0.00 0.00 -0.203 NA ATOM 7 C LIG 1 -0.852 -3.601 1.142 0.00 0.00 +0.203 A ATOM 8 N LIG 1 0.417 -0.384 -0.792 0.00 0.00 -0.307 N ATOM 9 N LIG 1 -1.891 -2.839 0.720 0.00 0.00 -0.208 NA ENDROOT BRANCH 5 10 ATOM 10 N LIG 1 2.740 0.111 -1.195 0.00 0.00 -0.289 N ATOM 11 C LIG 1 3.993 0.176 -0.356 0.00 0.00 +0.135 C ATOM 12 C LIG 1 5.229 0.582 -1.230 0.00 0.00 +0.140 C ATOM 13 C LIG 1 6.528 0.632 -0.427 0.00 0.00 +0.040 C ATOM 14 O LIG 1 5.479 -0.333 -2.323 0.00 0.00 -0.373 OA ATOM 15 C LIG 1 4.305 -1.018 -2.772 0.00 0.00 +0.179 C ATOM 16 C LIG 1 3.038 -0.171 -2.624 0.00 0.00 +0.136 C BRANCH 11 17 ATOM 17 C LIG 1 3.749 1.114 0.822 0.00 0.00 -0.025 A ATOM 18 C LIG 1 3.722 2.510 0.674 0.00 0.00 +0.005 A ATOM 19 C LIG 1 3.518 3.339 1.780 0.00 0.00 +0.000 A ATOM 20 C LIG 1 3.314 2.786 3.042 0.00 0.00 +0.000 A ATOM 21 C LIG 1 3.310 1.403 3.201 0.00 0.00 +0.000 A ATOM 22 C LIG 1 3.524 0.573 2.099 0.00 0.00 +0.005 A ENDBRANCH 11 17 ENDBRANCH 5 10 BRANCH 7 23 ATOM 23 C LIG 1 -1.225 -4.817 1.900 0.00 0.00 +0.220 A ATOM 24 N LIG 1 -2.514 -5.024 2.213 0.00 0.00 -0.269 N ATOM 25 H LIG 1 -3.292 -4.428 1.995 0.00 0.00 +0.174 HD ATOM 26 C LIG 1 -2.572 -6.173 2.896 0.00 0.00 +0.440 A ATOM 27 O LIG 1 -3.583 -6.684 3.352 0.00 0.00 -0.221 OA ATOM 28 O LIG 1 -1.302 -6.681 3.000 0.00 0.00 -0.295 OA ATOM 29 N LIG 1 -0.440 -5.751 2.331 0.00 0.00 -0.051 NA ENDBRANCH 7 23 BRANCH 1 30 ATOM 30 N LIG 1 -2.667 -0.866 -0.354 0.00 0.00 -0.324 N ATOM 31 H LIG 1 -2.451 0.112 -0.210 0.00 0.00 +0.148 HD BRANCH 30 33 ATOM 32 C LIG 1 -4.490 -1.215 1.296 0.00 0.00 +0.028 C ATOM 33 C LIG 1 -4.091 -1.161 -0.174 0.00 0.00 +0.072 C BRANCH 33 34 ATOM 34 C LIG 1 -4.560 -2.354 -1.013 0.00 0.00 +0.009 C ATOM 35 C LIG 1 -6.093 -2.469 -1.267 0.00 0.00 +0.005 C ATOM 36 C LIG 1 -5.887 -3.994 -1.362 0.00 0.00 +0.001 C ATOM 37 C LIG 1 -4.653 -3.806 -0.456 0.00 0.00 +0.005 C ENDBRANCH 33 34 ENDBRANCH 30 33 ENDBRANCH 1 30 BRANCH 8 38 ATOM 38 C LIG 1 -0.115 0.740 -1.539 0.00 0.00 +0.128 C BRANCH 38 39 ATOM 39 C LIG 1 -0.004 2.111 -0.843 0.00 0.00 +0.009 C ATOM 40 C LIG 1 -0.768 2.190 0.483 0.00 0.00 +0.005 C ATOM 41 C LIG 1 -0.549 3.536 1.181 0.00 0.00 +0.003 C ATOM 42 C LIG 1 -0.586 4.751 0.236 0.00 0.00 -0.014 C ATOM 43 C LIG 1 0.798 5.391 0.089 0.00 0.00 +0.007 C ATOM 44 C LIG 1 -1.176 4.391 -1.129 0.00 0.00 +0.003 C ATOM 45 C LIG 1 -0.466 3.221 -1.812 0.00 0.00 +0.005 C ENDBRANCH 38 39 ENDBRANCH 8 38 TORSDOF 8