REMARK Name = BDB007958 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -1.867 -1.795 1.112 0.00 0.00 -0.290 N ATOM 2 C LIG 1 -0.636 -1.375 1.637 0.00 0.00 +0.230 C ATOM 3 O LIG 1 -0.613 -0.493 2.503 0.00 0.00 -0.274 OA ENDROOT BRANCH 1 4 ATOM 4 C LIG 1 -2.027 -2.845 0.075 0.00 0.00 +0.073 C ATOM 5 C LIG 1 -2.489 -4.166 0.693 0.00 0.00 +0.028 C BRANCH 4 7 ATOM 6 C LIG 1 -4.327 -2.716 -1.164 0.00 0.00 +0.005 C ATOM 7 C LIG 1 -2.840 -2.387 -1.156 0.00 0.00 +0.019 C ENDBRANCH 4 7 ENDBRANCH 1 4 BRANCH 2 8 ATOM 8 C LIG 1 0.646 -2.029 1.076 0.00 0.00 +0.180 C BRANCH 8 9 ATOM 9 N LIG 1 1.893 -1.482 1.667 0.00 0.00 -0.294 NA ATOM 10 C LIG 1 2.089 -0.071 1.281 0.00 0.00 +0.085 C ATOM 11 C LIG 1 3.559 0.349 1.274 0.00 0.00 +0.027 C ATOM 12 C LIG 1 4.368 -0.474 0.261 0.00 0.00 +0.063 C ATOM 13 C LIG 1 3.807 -1.899 0.105 0.00 0.00 +0.027 C ATOM 14 C LIG 1 3.049 -2.334 1.355 0.00 0.00 +0.085 C BRANCH 12 15 ATOM 15 C LIG 1 4.400 0.251 -1.085 0.00 0.00 +0.166 C ATOM 16 O LIG 1 3.536 0.066 -1.942 0.00 0.00 -0.292 OA BRANCH 15 17 ATOM 17 C LIG 1 5.495 1.232 -1.375 0.00 0.00 +0.018 A ATOM 18 C LIG 1 5.659 1.664 -2.701 0.00 0.00 +0.014 A ATOM 19 C LIG 1 6.663 2.577 -3.031 0.00 0.00 +0.039 A ATOM 20 C LIG 1 7.499 3.062 -2.034 0.00 0.00 +0.123 A ATOM 21 F LIG 1 8.463 3.938 -2.347 0.00 0.00 -0.205 F ATOM 22 C LIG 1 7.348 2.653 -0.714 0.00 0.00 +0.039 A ATOM 23 C LIG 1 6.344 1.738 -0.380 0.00 0.00 +0.014 A ENDBRANCH 15 17 ENDBRANCH 12 15 ENDBRANCH 8 9 ENDBRANCH 2 8 BRANCH 1 24 ATOM 24 C LIG 1 -3.070 -1.222 1.737 0.00 0.00 +0.182 C BRANCH 24 25 ATOM 25 C LIG 1 -3.393 0.155 1.163 0.00 0.00 +0.127 A ATOM 26 N LIG 1 -2.513 1.155 1.479 0.00 0.00 -0.309 N ATOM 27 H LIG 1 -1.688 0.940 2.037 0.00 0.00 +0.170 HD ATOM 28 C LIG 1 -2.647 2.429 1.015 0.00 0.00 +0.257 A ATOM 29 O LIG 1 -1.851 3.324 1.272 0.00 0.00 -0.267 OA ATOM 30 C LIG 1 -3.837 2.656 0.175 0.00 0.00 +0.064 A ATOM 31 C LIG 1 -4.062 4.026 -0.373 0.00 0.00 +0.202 C ATOM 32 O LIG 1 -5.075 4.044 -1.394 0.00 0.00 -0.375 OA ATOM 33 C LIG 1 -6.232 3.300 -1.008 0.00 0.00 +0.166 C ATOM 34 C LIG 1 -5.886 1.816 -0.892 0.00 0.00 +0.084 C ATOM 35 C LIG 1 -4.649 1.612 -0.056 0.00 0.00 +0.056 A ATOM 36 N LIG 1 -4.445 0.342 0.429 0.00 0.00 -0.237 NA ENDBRANCH 24 25 ENDBRANCH 1 24 TORSDOF 8