REMARK Name = BDB010973 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 3.132 1.820 -0.159 0.00 0.00 -0.032 A ATOM 2 C LIG 1 1.812 1.382 -0.016 0.00 0.00 +0.020 A ATOM 3 C LIG 1 0.984 1.259 -1.141 0.00 0.00 +0.066 A ATOM 4 C LIG 1 1.448 1.577 -2.419 0.00 0.00 +0.090 A ATOM 5 N LIG 1 0.618 1.458 -3.535 0.00 0.00 -0.236 NA ATOM 6 C LIG 1 -0.579 0.995 -3.371 0.00 0.00 +0.209 A ATOM 7 N LIG 1 -1.135 0.606 -2.170 0.00 0.00 -0.251 N ATOM 8 C LIG 1 2.767 2.026 -2.576 0.00 0.00 +0.081 A ATOM 9 C LIG 1 -0.415 0.795 -0.992 0.00 0.00 +0.267 A ATOM 10 O LIG 1 -0.838 0.659 0.156 0.00 0.00 -0.267 OA ATOM 11 C LIG 1 3.596 2.143 -1.443 0.00 0.00 +0.019 A ENDROOT BRANCH 7 12 ATOM 12 C LIG 1 -2.481 0.105 -2.182 0.00 0.00 +0.142 A ATOM 13 N LIG 1 -3.198 0.266 -3.318 0.00 0.00 -0.237 NA ATOM 14 C LIG 1 -4.476 -0.164 -3.345 0.00 0.00 +0.113 A ATOM 15 C LIG 1 -5.097 -0.783 -2.278 0.00 0.00 +0.024 A ATOM 16 C LIG 1 -4.387 -1.006 -1.091 0.00 0.00 -0.029 A ATOM 17 C LIG 1 -3.052 -0.546 -1.084 0.00 0.00 +0.051 A BRANCH 16 18 ATOM 18 C LIG 1 -5.076 -1.722 0.172 0.00 0.00 +0.056 C ATOM 19 C LIG 1 -5.714 -3.131 -0.117 0.00 0.00 +0.022 C ATOM 20 C LIG 1 -5.133 -3.662 1.208 0.00 0.00 -0.012 C ATOM 21 C LIG 1 -6.093 -3.780 2.381 0.00 0.00 +0.007 C ATOM 22 C LIG 1 -4.172 -2.455 1.220 0.00 0.00 +0.022 C BRANCH 18 23 ATOM 23 C LIG 1 -6.109 -0.709 0.826 0.00 0.00 +0.144 A ATOM 24 N LIG 1 -5.852 0.362 1.637 0.00 0.00 -0.320 N ATOM 25 C LIG 1 -4.587 0.838 2.126 0.00 0.00 +0.151 C ATOM 26 C LIG 1 -7.061 0.928 1.906 0.00 0.00 +0.224 A ATOM 27 N LIG 1 -8.007 0.257 1.293 0.00 0.00 -0.138 NA ATOM 28 N LIG 1 -7.408 -0.769 0.604 0.00 0.00 -0.134 NA ENDBRANCH 18 23 ENDBRANCH 16 18 ENDBRANCH 7 12 BRANCH 8 29 ATOM 29 C LIG 1 3.297 2.373 -3.943 0.00 0.00 +0.419 C ATOM 30 F LIG 1 2.610 3.381 -4.551 0.00 0.00 -0.166 F ATOM 31 F LIG 1 3.295 1.321 -4.808 0.00 0.00 -0.166 F ATOM 32 F LIG 1 4.595 2.802 -3.912 0.00 0.00 -0.166 F ENDBRANCH 8 29 BRANCH 1 33 ATOM 33 C LIG 1 4.040 1.957 1.046 0.00 0.00 +0.119 C BRANCH 33 36 ATOM 34 C LIG 1 7.582 0.825 1.843 0.00 0.00 +0.078 C ATOM 35 C LIG 1 6.245 1.584 1.957 0.00 0.00 +0.101 C ATOM 36 N LIG 1 5.275 1.165 0.925 0.00 0.00 -0.297 NA ATOM 37 C LIG 1 5.004 -0.279 1.029 0.00 0.00 +0.085 C ATOM 38 C LIG 1 6.288 -1.095 0.868 0.00 0.00 +0.017 C ATOM 39 C LIG 1 7.342 -0.687 1.891 0.00 0.00 +0.019 C BRANCH 34 41 ATOM 40 C LIG 1 9.263 1.570 3.790 0.00 0.00 +0.004 C ATOM 41 C LIG 1 8.507 1.236 2.918 0.00 0.00 -0.101 C ENDBRANCH 34 41 ENDBRANCH 33 36 ENDBRANCH 1 33 TORSDOF 7