REMARK Name = BDB026022 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.557 -1.181 -1.350 0.00 0.00 +0.054 A ATOM 2 C LIG 1 -0.328 -0.035 -0.554 0.00 0.00 +0.056 A ATOM 3 C LIG 1 0.698 -0.021 0.395 0.00 0.00 +0.036 A ATOM 4 C LIG 1 1.523 -1.146 0.584 0.00 0.00 +0.019 A ATOM 5 C LIG 1 1.272 -2.276 -0.213 0.00 0.00 +0.133 A ATOM 6 F LIG 1 2.031 -3.376 -0.086 0.00 0.00 -0.205 F ATOM 7 C LIG 1 0.252 -2.302 -1.164 0.00 0.00 +0.064 A ENDROOT BRANCH 1 15 ATOM 8 C LIG 1 -4.704 -0.701 -2.434 0.00 0.00 +0.026 C ATOM 9 C LIG 1 -3.858 -1.827 -3.044 0.00 0.00 +0.071 C ATOM 10 N LIG 1 -3.499 -1.416 -4.433 0.00 0.00 -0.297 NA ATOM 11 C LIG 1 -4.428 -2.003 -5.399 0.00 0.00 +0.105 C ATOM 12 C LIG 1 -2.075 -1.697 -4.736 0.00 0.00 +0.071 C ATOM 13 C LIG 1 -1.660 -1.228 -6.138 0.00 0.00 +0.026 C ATOM 14 C LIG 1 -1.111 -1.028 -3.701 0.00 0.00 +0.123 C ATOM 15 N LIG 1 -1.597 -1.134 -2.305 0.00 0.00 -0.325 N ATOM 16 C LIG 1 -2.647 -2.146 -2.115 0.00 0.00 +0.123 C ENDBRANCH 1 15 BRANCH 4 17 ATOM 17 C LIG 1 2.606 -1.126 1.585 0.00 0.00 -0.012 A ATOM 18 C LIG 1 3.510 -0.060 1.656 0.00 0.00 +0.048 A ATOM 19 C LIG 1 4.534 -0.038 2.611 0.00 0.00 +0.145 A ATOM 20 F LIG 1 5.341 1.034 2.595 0.00 0.00 -0.204 F ATOM 21 C LIG 1 4.706 -1.062 3.559 0.00 0.00 +0.066 A ATOM 22 C LIG 1 3.805 -2.136 3.459 0.00 0.00 +0.026 A ATOM 23 C LIG 1 2.777 -2.168 2.503 0.00 0.00 +0.010 A BRANCH 21 24 ATOM 24 N LIG 1 5.715 -1.107 4.529 0.00 0.00 -0.323 N ATOM 25 C LIG 1 6.856 -0.167 4.474 0.00 0.00 +0.133 C ATOM 26 C LIG 1 6.564 1.116 5.273 0.00 0.00 +0.178 C ATOM 27 O LIG 1 6.198 0.816 6.632 0.00 0.00 -0.377 OA ATOM 28 C LIG 1 5.034 -0.028 6.658 0.00 0.00 +0.178 C ATOM 29 C LIG 1 5.290 -1.357 5.928 0.00 0.00 +0.133 C ENDBRANCH 21 24 ENDBRANCH 4 17 BRANCH 2 30 ATOM 30 N LIG 1 -1.207 1.041 -0.791 0.00 0.00 -0.280 N ATOM 31 H LIG 1 -1.907 0.806 -1.494 0.00 0.00 +0.155 HD ATOM 32 C LIG 1 -1.262 2.259 -0.166 0.00 0.00 +0.250 C ATOM 33 O LIG 1 -0.546 2.666 0.741 0.00 0.00 -0.270 OA BRANCH 32 34 ATOM 34 C LIG 1 -2.372 3.124 -0.671 0.00 0.00 +0.062 A ATOM 35 C LIG 1 -3.364 3.702 0.233 0.00 0.00 +0.036 A ATOM 36 C LIG 1 -4.325 4.505 -0.264 0.00 0.00 +0.080 A ATOM 37 C LIG 1 -4.380 4.809 -1.715 0.00 0.00 +0.249 A ATOM 38 O LIG 1 -5.247 5.536 -2.182 0.00 0.00 -0.268 OA ATOM 39 N LIG 1 -3.403 4.226 -2.483 0.00 0.00 -0.328 N ATOM 40 H LIG 1 -3.438 4.441 -3.474 0.00 0.00 +0.168 HD ATOM 41 C LIG 1 -2.417 3.411 -1.983 0.00 0.00 +0.099 A BRANCH 35 42 ATOM 42 C LIG 1 -3.290 3.348 1.691 0.00 0.00 +0.372 C ATOM 43 F LIG 1 -3.441 2.006 1.863 0.00 0.00 -0.204 F ATOM 44 F LIG 1 -4.310 3.921 2.392 0.00 0.00 -0.204 F ENDBRANCH 35 42 ENDBRANCH 32 34 ENDBRANCH 2 30 TORSDOF 6