REMARK Name = BDB028053 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -3.503 -0.481 0.834 0.00 0.00 -0.032 A ATOM 2 C LIG 1 -2.947 -1.752 0.555 0.00 0.00 +0.017 A ATOM 3 C LIG 1 -1.568 -1.920 0.320 0.00 0.00 +0.061 A ATOM 4 C LIG 1 -0.766 -0.784 0.376 0.00 0.00 -0.006 A ATOM 5 C LIG 1 0.709 -0.646 0.175 0.00 0.00 +0.150 C ATOM 6 N LIG 1 0.952 0.774 0.382 0.00 0.00 -0.263 N ATOM 7 C LIG 1 -0.237 1.458 0.659 0.00 0.00 +0.251 C ATOM 8 O LIG 1 -0.453 2.633 0.884 0.00 0.00 -0.270 OA ATOM 9 C LIG 1 -1.315 0.461 0.653 0.00 0.00 +0.043 A ATOM 10 C LIG 1 -2.667 0.644 0.881 0.00 0.00 +0.018 A ENDROOT BRANCH 6 11 ATOM 11 C LIG 1 2.257 1.338 0.312 0.00 0.00 +0.037 A ATOM 12 C LIG 1 3.373 0.533 0.014 0.00 0.00 +0.028 A ATOM 13 C LIG 1 4.700 1.027 -0.059 0.00 0.00 -0.035 A ATOM 14 C LIG 1 4.864 2.398 0.199 0.00 0.00 +0.004 A ATOM 15 C LIG 1 3.778 3.220 0.489 0.00 0.00 +0.002 A ATOM 16 C LIG 1 2.487 2.693 0.543 0.00 0.00 +0.023 A BRANCH 13 17 ATOM 17 C LIG 1 5.958 0.033 -0.373 0.00 0.00 +0.049 C ATOM 18 C LIG 1 7.130 0.621 -1.218 0.00 0.00 +0.174 C ATOM 19 O LIG 1 6.632 -0.013 -2.420 0.00 0.00 -0.378 OA ATOM 20 C LIG 1 5.781 -0.880 -1.629 0.00 0.00 +0.174 C BRANCH 17 21 ATOM 21 C LIG 1 6.348 -0.631 0.958 0.00 0.00 +0.092 C BRANCH 21 22 ATOM 22 C LIG 1 7.509 -1.564 0.934 0.00 0.00 +0.134 A ATOM 23 N LIG 1 8.679 -1.401 1.634 0.00 0.00 -0.320 N ATOM 24 C LIG 1 9.049 -0.317 2.501 0.00 0.00 +0.151 C ATOM 25 C LIG 1 9.434 -2.504 1.377 0.00 0.00 +0.224 A ATOM 26 N LIG 1 8.777 -3.303 0.566 0.00 0.00 -0.138 NA ATOM 27 N LIG 1 7.567 -2.713 0.296 0.00 0.00 -0.135 NA ENDBRANCH 21 22 ENDBRANCH 17 21 ENDBRANCH 13 17 ENDBRANCH 6 11 BRANCH 3 28 ATOM 28 C LIG 1 -0.975 -3.271 0.024 0.00 0.00 +0.418 C ATOM 29 F LIG 1 -1.891 -4.275 -0.017 0.00 0.00 -0.166 F ATOM 30 F LIG 1 -0.051 -3.639 0.952 0.00 0.00 -0.166 F ATOM 31 F LIG 1 -0.329 -3.297 -1.173 0.00 0.00 -0.166 F ENDBRANCH 3 28 BRANCH 1 32 ATOM 32 C LIG 1 -4.992 -0.329 1.077 0.00 0.00 +0.119 C BRANCH 32 41 ATOM 33 C LIG 1 -9.517 0.585 0.164 0.00 0.00 +0.015 C ATOM 34 C LIG 1 -8.130 0.190 -0.343 0.00 0.00 +0.069 C ATOM 35 C LIG 1 -7.960 0.518 -1.824 0.00 0.00 +0.256 C ATOM 36 F LIG 1 -8.552 1.706 -2.117 0.00 0.00 -0.205 F ATOM 37 F LIG 1 -8.656 -0.418 -2.534 0.00 0.00 -0.205 F ATOM 38 C LIG 1 -6.510 0.522 -2.313 0.00 0.00 +0.069 C ATOM 39 C LIG 1 -5.994 1.930 -2.626 0.00 0.00 +0.015 C ATOM 40 C LIG 1 -5.621 -0.182 -1.281 0.00 0.00 +0.093 C ATOM 41 N LIG 1 -5.669 0.467 0.040 0.00 0.00 -0.297 NA ATOM 42 C LIG 1 -7.024 0.867 0.461 0.00 0.00 +0.093 C ENDBRANCH 32 41 ENDBRANCH 1 32 TORSDOF 7