REMARK Name = BDB009358 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.484 -1.111 0.119 0.00 0.00 +0.072 A ATOM 2 C LIG 1 1.494 -2.469 0.422 0.00 0.00 +0.135 A ATOM 3 F LIG 1 0.551 -3.290 -0.064 0.00 0.00 -0.205 F ATOM 4 C LIG 1 2.475 -2.992 1.256 0.00 0.00 +0.039 A ATOM 5 C LIG 1 3.465 -2.153 1.775 0.00 0.00 +0.007 A ATOM 6 C LIG 1 3.490 -0.786 1.449 0.00 0.00 -0.041 A ATOM 7 C LIG 1 2.481 -0.268 0.621 0.00 0.00 +0.020 A ENDROOT BRANCH 1 9 ATOM 8 O LIG 1 0.836 -0.200 -1.896 0.00 0.00 -0.270 OA ATOM 9 C LIG 1 0.463 -0.557 -0.781 0.00 0.00 +0.249 C ATOM 10 N LIG 1 -0.845 -0.422 -0.325 0.00 0.00 -0.294 N ATOM 11 C LIG 1 -1.881 -0.114 -1.310 0.00 0.00 +0.127 C ATOM 12 C LIG 1 -3.010 0.746 -0.731 0.00 0.00 +0.127 C ATOM 13 N LIG 1 -3.523 0.222 0.542 0.00 0.00 -0.298 N ATOM 14 C LIG 1 -4.791 0.517 1.043 0.00 0.00 +0.219 C ATOM 15 O LIG 1 -5.038 0.426 2.248 0.00 0.00 -0.275 OA ATOM 16 C LIG 1 -2.480 -0.081 1.528 0.00 0.00 +0.127 C ATOM 17 C LIG 1 -1.343 -0.937 0.956 0.00 0.00 +0.127 C BRANCH 14 18 ATOM 18 C LIG 1 -5.896 0.884 0.040 0.00 0.00 +0.075 C ATOM 19 C LIG 1 -7.120 1.503 0.750 0.00 0.00 +0.013 C ATOM 20 C LIG 1 -8.154 0.452 1.141 0.00 0.00 +0.001 C ATOM 21 C LIG 1 -8.698 -0.295 -0.076 0.00 0.00 +0.000 C ATOM 22 C LIG 1 -7.723 -0.334 -1.252 0.00 0.00 +0.001 C ATOM 23 C LIG 1 -6.272 -0.362 -0.787 0.00 0.00 +0.013 C ENDBRANCH 14 18 ENDBRANCH 1 9 BRANCH 6 24 ATOM 24 C LIG 1 4.563 0.111 2.028 0.00 0.00 +0.094 C BRANCH 24 25 ATOM 25 C LIG 1 5.172 1.083 1.026 0.00 0.00 +0.087 A ATOM 26 C LIG 1 6.071 0.555 -0.059 0.00 0.00 +0.059 A ATOM 27 N LIG 1 6.383 -0.792 -0.167 0.00 0.00 -0.342 N ATOM 28 H LIG 1 6.233 -1.361 0.659 0.00 0.00 +0.146 HD ATOM 29 C LIG 1 7.441 -1.250 -1.058 0.00 0.00 +0.102 C ATOM 30 C LIG 1 7.392 -0.446 -2.354 0.00 0.00 +0.023 C ATOM 31 C LIG 1 7.433 1.063 -2.076 0.00 0.00 +0.044 C ATOM 32 C LIG 1 6.549 1.462 -0.926 0.00 0.00 +0.041 A ATOM 33 C LIG 1 6.218 2.895 -0.773 0.00 0.00 +0.270 A ATOM 34 O LIG 1 6.666 3.747 -1.534 0.00 0.00 -0.266 OA ATOM 35 N LIG 1 5.396 3.214 0.275 0.00 0.00 -0.243 N ATOM 36 H LIG 1 5.154 4.192 0.392 0.00 0.00 +0.192 HD ATOM 37 N LIG 1 4.865 2.340 1.172 0.00 0.00 -0.174 NA ENDBRANCH 24 25 ENDBRANCH 6 24 TORSDOF 4