REMARK Name = BDB054217 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.452 0.274 -0.593 0.00 0.00 +0.107 C ATOM 2 C LIG 1 -0.889 0.781 -1.935 0.00 0.00 +0.163 C ATOM 3 O LIG 1 -1.522 1.497 -2.717 0.00 0.00 -0.295 OA ATOM 4 C LIG 1 0.536 0.277 -2.213 0.00 0.00 +0.111 C ATOM 5 C LIG 1 1.417 0.597 -1.017 0.00 0.00 +0.185 C ATOM 6 C LIG 1 0.774 0.991 0.287 0.00 0.00 +0.109 C ATOM 7 O LIG 1 2.642 0.617 -1.149 0.00 0.00 -0.291 OA ATOM 8 C LIG 1 0.482 -1.290 -2.447 0.00 0.00 +0.010 C ATOM 9 C LIG 1 -0.519 -1.565 -3.744 0.00 0.00 +0.001 C ATOM 10 C LIG 1 1.847 -1.931 -2.958 0.00 0.00 +0.001 C ATOM 11 C LIG 1 -0.182 -2.098 -1.227 0.00 0.00 +0.019 C ATOM 12 C LIG 1 -0.580 0.960 0.486 0.00 0.00 +0.185 C ATOM 13 O LIG 1 -1.256 1.361 1.480 0.00 0.00 -0.291 OA ATOM 14 C LIG 1 -1.113 -1.150 -0.612 0.00 0.00 +0.011 C ENDROOT BRANCH 6 15 ATOM 15 C LIG 1 1.691 1.405 1.402 0.00 0.00 +0.200 C ATOM 16 O LIG 1 2.108 2.551 1.529 0.00 0.00 -0.286 OA BRANCH 15 17 ATOM 17 C LIG 1 2.126 0.273 2.254 0.00 0.00 +0.026 A ATOM 18 C LIG 1 3.216 -0.509 1.862 0.00 0.00 +0.066 A ATOM 19 C LIG 1 3.574 -1.734 2.488 0.00 0.00 +0.226 A ATOM 20 O LIG 1 4.552 -2.402 1.984 0.00 0.00 -0.284 OA ATOM 21 C LIG 1 2.762 -2.148 3.627 0.00 0.00 +0.225 A ATOM 22 O LIG 1 2.911 -3.242 4.291 0.00 0.00 -0.284 OA ATOM 23 C LIG 1 1.699 -1.280 4.009 0.00 0.00 +0.055 A ATOM 24 C LIG 1 1.369 -0.100 3.344 0.00 0.00 +0.016 A ENDBRANCH 15 17 ENDBRANCH 6 15 BRANCH 1 25 ATOM 25 C LIG 1 -2.896 0.502 -0.510 0.00 0.00 +0.014 C BRANCH 25 26 ATOM 26 C LIG 1 -4.290 0.850 -0.234 0.00 0.00 +0.037 C BRANCH 26 28 ATOM 27 C LIG 1 -5.413 2.607 -2.053 0.00 0.00 +0.026 C ATOM 28 C LIG 1 -5.042 1.170 -1.516 0.00 0.00 -0.048 C ATOM 29 C LIG 1 -5.823 0.068 -2.340 0.00 0.00 -0.009 C ENDBRANCH 26 28 BRANCH 26 30 ATOM 30 C LIG 1 -4.369 1.939 0.752 0.00 0.00 +0.025 C BRANCH 30 31 ATOM 31 C LIG 1 -4.165 3.016 1.843 0.00 0.00 -0.035 C ATOM 32 C LIG 1 -3.909 3.889 2.771 0.00 0.00 -0.048 C ATOM 33 C LIG 1 -4.604 3.669 4.150 0.00 0.00 +0.026 C ATOM 34 C LIG 1 -3.813 5.383 2.339 0.00 0.00 +0.026 C ENDBRANCH 30 31 ENDBRANCH 26 30 ENDBRANCH 25 26 ENDBRANCH 1 25 BRANCH 4 35 ATOM 35 C LIG 1 1.082 1.019 -3.402 0.00 0.00 +0.040 C BRANCH 35 36 ATOM 36 C LIG 1 1.666 1.780 -4.620 0.00 0.00 -0.034 C ATOM 37 C LIG 1 2.158 2.410 -5.642 0.00 0.00 -0.048 C ATOM 38 C LIG 1 2.342 1.687 -6.992 0.00 0.00 +0.026 C ATOM 39 C LIG 1 2.304 3.945 -5.625 0.00 0.00 +0.026 C ENDBRANCH 35 36 ENDBRANCH 4 35 BRANCH 11 40 ATOM 40 C LIG 1 0.745 -2.713 -0.263 0.00 0.00 +0.021 C BRANCH 40 41 ATOM 41 C LIG 1 1.582 -3.616 0.699 0.00 0.00 -0.035 C ATOM 42 C LIG 1 2.189 -4.515 1.445 0.00 0.00 -0.048 C ATOM 43 C LIG 1 1.083 -5.490 2.116 0.00 0.00 +0.026 C ATOM 44 C LIG 1 3.121 -5.479 0.549 0.00 0.00 +0.026 C ENDBRANCH 40 41 ENDBRANCH 11 40 TORSDOF 11