REMARK Name = BDB038485 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.720 0.849 -0.075 0.00 0.00 -0.263 N ATOM 2 C LIG 1 0.365 1.661 0.270 0.00 0.00 +0.251 C ATOM 3 O LIG 1 0.522 2.866 0.206 0.00 0.00 -0.270 OA ATOM 4 C LIG 1 1.418 0.776 0.783 0.00 0.00 +0.043 A ATOM 5 C LIG 1 2.677 1.109 1.246 0.00 0.00 +0.018 A ATOM 6 C LIG 1 3.514 0.072 1.683 0.00 0.00 -0.032 A ATOM 7 C LIG 1 3.050 -1.264 1.636 0.00 0.00 +0.017 A ATOM 8 C LIG 1 1.761 -1.586 1.165 0.00 0.00 +0.061 A ATOM 9 C LIG 1 0.957 -0.534 0.738 0.00 0.00 -0.006 A ATOM 10 C LIG 1 -0.434 -0.555 0.192 0.00 0.00 +0.150 C ENDROOT BRANCH 1 13 ATOM 11 C LIG 1 -4.222 0.741 -1.453 0.00 0.00 -0.015 A ATOM 12 C LIG 1 -2.981 0.353 -0.903 0.00 0.00 +0.032 A ATOM 13 C LIG 1 -1.956 1.278 -0.634 0.00 0.00 +0.038 A ATOM 14 C LIG 1 -2.201 2.622 -0.936 0.00 0.00 +0.023 A ATOM 15 C LIG 1 -3.417 3.027 -1.493 0.00 0.00 +0.002 A ATOM 16 C LIG 1 -4.416 2.094 -1.754 0.00 0.00 +0.008 A BRANCH 11 18 ATOM 17 C LIG 1 -6.586 -0.170 -1.168 0.00 0.00 +0.027 A ATOM 18 C LIG 1 -5.279 -0.261 -1.708 0.00 0.00 -0.007 A ATOM 19 C LIG 1 -4.985 -1.355 -2.549 0.00 0.00 +0.009 A ATOM 20 C LIG 1 -5.944 -2.323 -2.854 0.00 0.00 +0.001 A ATOM 21 C LIG 1 -7.226 -2.216 -2.332 0.00 0.00 +0.001 A ATOM 22 C LIG 1 -7.546 -1.144 -1.500 0.00 0.00 +0.012 A BRANCH 17 25 ATOM 23 C LIG 1 -5.535 0.492 1.726 0.00 0.00 +0.152 C ATOM 24 N LIG 1 -6.530 1.200 0.967 0.00 0.00 -0.317 N ATOM 25 C LIG 1 -7.018 0.914 -0.285 0.00 0.00 +0.164 A ATOM 26 N LIG 1 -7.991 1.770 -0.546 0.00 0.00 -0.129 NA ATOM 27 N LIG 1 -8.107 2.641 0.512 0.00 0.00 -0.138 NA ATOM 28 C LIG 1 -7.221 2.286 1.410 0.00 0.00 +0.225 A ENDBRANCH 17 25 ENDBRANCH 11 18 ENDBRANCH 1 13 BRANCH 8 29 ATOM 29 C LIG 1 1.268 -3.007 1.113 0.00 0.00 +0.418 C ATOM 30 F LIG 1 0.108 -3.173 1.806 0.00 0.00 -0.166 F ATOM 31 F LIG 1 0.997 -3.408 -0.160 0.00 0.00 -0.166 F ATOM 32 F LIG 1 2.145 -3.915 1.618 0.00 0.00 -0.166 F ENDBRANCH 8 29 BRANCH 6 33 ATOM 33 C LIG 1 4.909 0.378 2.182 0.00 0.00 +0.116 C BRANCH 33 34 ATOM 34 N LIG 1 5.841 0.760 1.122 0.00 0.00 -0.307 NA ATOM 35 H LIG 1 5.452 1.553 0.614 0.00 0.00 +0.123 HD BRANCH 34 36 ATOM 36 C LIG 1 6.180 -0.314 0.178 0.00 0.00 +0.082 C ATOM 37 C LIG 1 7.113 0.222 -0.934 0.00 0.00 +0.131 C ATOM 38 C LIG 1 8.514 0.210 -0.321 0.00 0.00 +0.033 C ATOM 39 C LIG 1 8.466 -0.809 0.821 0.00 0.00 +0.004 C ATOM 40 C LIG 1 7.064 -1.408 0.791 0.00 0.00 +0.021 C BRANCH 37 41 ATOM 41 O LIG 1 7.093 -0.652 -2.064 0.00 0.00 -0.390 OA ATOM 42 H LIG 1 6.218 -0.565 -2.480 0.00 0.00 +0.210 HD ENDBRANCH 37 41 ENDBRANCH 34 36 ENDBRANCH 33 34 ENDBRANCH 6 33 TORSDOF 8