REMARK Name = BDB024705 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 5.799 -2.764 0.783 0.00 0.00 +0.407 C ATOM 2 N LIG 1 5.234 -1.682 0.086 0.00 0.00 -0.234 N ATOM 3 C LIG 1 6.174 -0.805 -0.643 0.00 0.00 +0.082 C ATOM 4 C LIG 1 6.748 -1.506 -1.885 0.00 0.00 +0.028 C ATOM 5 C LIG 1 5.589 0.544 -1.091 0.00 0.00 +0.027 C ATOM 6 C LIG 1 4.640 1.090 -0.046 0.00 0.00 +0.041 C ATOM 7 C LIG 1 3.536 0.087 0.120 0.00 0.00 +0.002 A ATOM 8 C LIG 1 2.185 0.473 0.244 0.00 0.00 +0.094 A ATOM 9 N LIG 1 1.637 1.732 0.237 0.00 0.00 -0.232 NA ATOM 10 C LIG 1 0.339 1.571 0.402 0.00 0.00 +0.113 A ATOM 11 N LIG 1 0.021 0.230 0.467 0.00 0.00 -0.326 N ATOM 12 C LIG 1 1.196 -0.489 0.397 0.00 0.00 +0.069 A ATOM 13 C LIG 1 1.481 -1.855 0.438 0.00 0.00 +0.030 A ATOM 14 C LIG 1 2.827 -2.229 0.327 0.00 0.00 +0.026 A ATOM 15 C LIG 1 3.858 -1.287 0.188 0.00 0.00 +0.045 A ATOM 16 O LIG 1 6.979 -3.092 0.684 0.00 0.00 -0.226 OA ENDROOT BRANCH 1 18 ATOM 17 C LIG 1 5.537 -4.448 2.402 0.00 0.00 +0.282 C ATOM 18 O LIG 1 4.948 -3.389 1.647 0.00 0.00 -0.453 OA ENDBRANCH 1 18 BRANCH 11 19 ATOM 19 C LIG 1 -1.304 -0.358 0.599 0.00 0.00 +0.139 C BRANCH 19 20 ATOM 20 C LIG 1 -1.812 -0.940 -0.731 0.00 0.00 +0.106 C BRANCH 20 21 ATOM 21 N LIG 1 -3.167 -1.508 -0.749 0.00 0.00 -0.298 NA ATOM 22 C LIG 1 -3.353 -2.639 0.172 0.00 0.00 +0.100 C ATOM 23 C LIG 1 -4.776 -3.241 0.073 0.00 0.00 +0.099 C ATOM 24 N LIG 1 -5.877 -2.271 0.239 0.00 0.00 -0.303 NA ATOM 25 C LIG 1 -6.026 -1.853 1.631 0.00 0.00 +0.105 C ATOM 26 C LIG 1 -5.641 -1.115 -0.652 0.00 0.00 +0.099 C ATOM 27 C LIG 1 -4.223 -0.499 -0.561 0.00 0.00 +0.100 C ENDBRANCH 20 21 ENDBRANCH 19 20 ENDBRANCH 11 19 BRANCH 10 28 ATOM 28 C LIG 1 -0.636 2.697 0.507 0.00 0.00 +0.096 C BRANCH 28 29 ATOM 29 C LIG 1 -1.218 3.064 -0.858 0.00 0.00 +0.132 C BRANCH 29 30 ATOM 30 N LIG 1 -2.204 4.141 -0.760 0.00 0.00 -0.315 N ATOM 31 C LIG 1 -3.494 3.821 -0.335 0.00 0.00 +0.251 A ATOM 32 O LIG 1 -3.864 2.689 -0.030 0.00 0.00 -0.268 OA ATOM 33 C LIG 1 -4.452 4.955 -0.246 0.00 0.00 +0.070 A ATOM 34 C LIG 1 -4.051 6.199 -0.535 0.00 0.00 +0.007 A ATOM 35 C LIG 1 -2.691 6.455 -0.935 0.00 0.00 +0.018 A ATOM 36 C LIG 1 -1.821 5.442 -1.035 0.00 0.00 +0.089 A ENDBRANCH 29 30 ENDBRANCH 28 29 ENDBRANCH 10 28 TORSDOF 7