REMARK Name = BDB061015 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 2.197 -0.705 -0.829 0.00 0.00 -0.298 NA ATOM 2 C LIG 1 2.340 -2.170 -0.848 0.00 0.00 +0.094 C ATOM 3 C LIG 1 1.611 -2.806 -2.063 0.00 0.00 +0.050 C ATOM 4 C LIG 1 0.116 -2.540 -1.973 0.00 0.00 +0.026 A ATOM 5 N LIG 1 -0.394 -1.351 -2.498 0.00 0.00 -0.311 N ATOM 6 C LIG 1 0.434 -0.451 -3.305 0.00 0.00 +0.130 C ATOM 7 C LIG 1 1.945 -0.722 -3.312 0.00 0.00 +0.024 C ATOM 8 C LIG 1 -1.739 -0.985 -2.357 0.00 0.00 +0.259 A ATOM 9 O LIG 1 -2.213 0.039 -2.850 0.00 0.00 -0.267 OA ATOM 10 C LIG 1 -2.601 -1.911 -1.546 0.00 0.00 +0.047 A ATOM 11 C LIG 1 -2.089 -3.082 -1.134 0.00 0.00 +0.015 A ATOM 12 C LIG 1 -0.704 -3.405 -1.353 0.00 0.00 +0.022 A ATOM 13 C LIG 1 2.182 -2.227 -3.354 0.00 0.00 +0.017 C ATOM 14 C LIG 1 2.650 -0.102 -2.085 0.00 0.00 +0.090 C ENDROOT BRANCH 1 20 ATOM 15 C LIG 1 3.684 4.033 3.446 0.00 0.00 +0.109 C ATOM 16 C LIG 1 4.473 2.813 3.041 0.00 0.00 +0.212 C ATOM 17 N LIG 1 3.860 1.919 2.163 0.00 0.00 -0.302 N ATOM 18 C LIG 1 2.409 1.891 1.963 0.00 0.00 +0.109 C ATOM 19 C LIG 1 2.022 1.294 0.616 0.00 0.00 +0.038 C ATOM 20 C LIG 1 2.682 -0.079 0.411 0.00 0.00 +0.060 C ATOM 21 C LIG 1 4.204 0.072 0.529 0.00 0.00 +0.038 C ATOM 22 C LIG 1 4.575 0.675 1.882 0.00 0.00 +0.109 C ATOM 23 O LIG 1 5.614 2.646 3.474 0.00 0.00 -0.276 OA ENDBRANCH 1 20 BRANCH 10 24 ATOM 24 C LIG 1 -3.974 -1.532 -1.173 0.00 0.00 -0.008 A ATOM 25 C LIG 1 -4.290 -1.000 0.099 0.00 0.00 -0.025 A ATOM 26 C LIG 1 -5.625 -0.644 0.370 0.00 0.00 +0.005 A ATOM 27 C LIG 1 -6.625 -0.821 -0.586 0.00 0.00 +0.000 A ATOM 28 C LIG 1 -6.309 -1.351 -1.833 0.00 0.00 +0.001 A ATOM 29 C LIG 1 -4.991 -1.703 -2.126 0.00 0.00 +0.009 A BRANCH 25 30 ATOM 30 C LIG 1 -3.253 -0.784 1.188 0.00 0.00 +0.120 C BRANCH 30 31 ATOM 31 N LIG 1 -2.991 0.635 1.498 0.00 0.00 -0.294 NA ATOM 32 C LIG 1 -2.323 1.316 0.363 0.00 0.00 +0.113 C ATOM 33 C LIG 1 -1.905 2.752 0.722 0.00 0.00 +0.175 C ATOM 34 O LIG 1 -1.048 2.776 1.874 0.00 0.00 -0.377 OA ATOM 35 C LIG 1 -1.727 2.185 2.989 0.00 0.00 +0.175 C ATOM 36 C LIG 1 -2.116 0.731 2.686 0.00 0.00 +0.113 C ENDBRANCH 30 31 ENDBRANCH 25 30 ENDBRANCH 10 24 TORSDOF 4