REMARK Name = BDB050517 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.372 -3.909 -1.744 0.00 0.00 +0.109 C ATOM 2 C LIG 1 -2.755 -3.401 -1.415 0.00 0.00 +0.213 C ATOM 3 N LIG 1 -2.874 -2.060 -1.069 0.00 0.00 -0.297 N ATOM 4 C LIG 1 -1.778 -1.090 -1.288 0.00 0.00 +0.148 C ATOM 5 C LIG 1 -2.003 0.140 -0.484 0.00 0.00 +0.033 A ATOM 6 C LIG 1 -1.181 1.277 -0.269 0.00 0.00 +0.152 A ATOM 7 N LIG 1 -1.834 2.204 0.445 0.00 0.00 -0.155 NA ATOM 8 N LIG 1 -3.017 1.644 0.758 0.00 0.00 -0.261 N ATOM 9 C LIG 1 -3.172 0.414 0.194 0.00 0.00 +0.048 A ATOM 10 C LIG 1 -4.335 -0.503 0.269 0.00 0.00 +0.074 C ATOM 11 C LIG 1 -4.236 -1.516 -0.891 0.00 0.00 +0.114 C ATOM 12 O LIG 1 -3.715 -4.170 -1.446 0.00 0.00 -0.276 OA ENDROOT BRANCH 6 13 ATOM 13 N LIG 1 0.066 1.425 -0.801 0.00 0.00 -0.283 N ATOM 14 C LIG 1 1.213 0.629 -0.518 0.00 0.00 +0.038 A ATOM 15 C LIG 1 2.425 0.827 -1.212 0.00 0.00 -0.025 A ATOM 16 C LIG 1 3.545 0.016 -0.941 0.00 0.00 +0.014 A ATOM 17 C LIG 1 3.492 -1.000 0.019 0.00 0.00 -0.015 A ATOM 18 C LIG 1 2.299 -1.188 0.718 0.00 0.00 +0.010 A ATOM 19 C LIG 1 2.583 1.946 -2.212 0.00 0.00 +0.038 C ATOM 20 C LIG 1 1.255 2.579 -2.591 0.00 0.00 +0.024 C ATOM 21 C LIG 1 1.183 -0.383 0.457 0.00 0.00 +0.024 A ATOM 22 C LIG 1 0.395 2.749 -1.346 0.00 0.00 +0.113 C BRANCH 17 23 ATOM 23 C LIG 1 4.643 -1.843 0.297 0.00 0.00 +0.020 A ATOM 24 C LIG 1 5.964 -1.468 0.150 0.00 0.00 +0.116 A ATOM 25 N LIG 1 6.715 -2.541 0.535 0.00 0.00 -0.274 N ATOM 26 C LIG 1 8.154 -2.628 0.567 0.00 0.00 +0.172 C ATOM 27 N LIG 1 5.980 -3.597 0.926 0.00 0.00 -0.179 NA ATOM 28 C LIG 1 4.722 -3.170 0.784 0.00 0.00 +0.142 A ENDBRANCH 17 23 ENDBRANCH 6 13 BRANCH 8 29 ATOM 29 C LIG 1 -3.946 2.334 1.619 0.00 0.00 +0.135 C ATOM 30 C LIG 1 -3.875 3.853 1.614 0.00 0.00 +0.186 C ATOM 31 O LIG 1 -4.494 4.284 2.842 0.00 0.00 -0.378 OA ATOM 32 C LIG 1 -4.523 3.166 3.743 0.00 0.00 +0.162 C ATOM 33 C LIG 1 -3.753 2.036 3.091 0.00 0.00 +0.057 C ENDBRANCH 8 29 TORSDOF 3