REMARK Name = BDB003333 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -1.916 1.542 -0.899 0.00 0.00 -0.284 N ATOM 2 C LIG 1 -0.694 0.857 -0.673 0.00 0.00 +0.039 A ATOM 3 C LIG 1 0.406 1.458 -0.045 0.00 0.00 -0.026 A ATOM 4 C LIG 1 1.611 0.749 0.102 0.00 0.00 +0.009 A ATOM 5 C LIG 1 1.747 -0.585 -0.321 0.00 0.00 -0.035 A ATOM 6 C LIG 1 0.641 -1.203 -0.943 0.00 0.00 +0.023 A ATOM 7 C LIG 1 0.321 2.866 0.483 0.00 0.00 +0.038 C ATOM 8 C LIG 1 -1.125 3.283 0.691 0.00 0.00 +0.024 C ATOM 9 C LIG 1 -0.556 -0.474 -1.101 0.00 0.00 +0.033 A ATOM 10 C LIG 1 -1.911 2.979 -0.574 0.00 0.00 +0.113 C ENDROOT BRANCH 1 13 ATOM 11 C LIG 1 -4.636 0.243 1.086 0.00 0.00 +0.129 A ATOM 12 N LIG 1 -3.447 0.795 0.761 0.00 0.00 -0.226 NA ATOM 13 C LIG 1 -3.166 0.961 -0.547 0.00 0.00 +0.136 A ATOM 14 C LIG 1 -4.071 0.586 -1.567 0.00 0.00 +0.041 A ATOM 15 C LIG 1 -5.299 0.019 -1.187 0.00 0.00 +0.076 A ATOM 16 N LIG 1 -6.226 -0.373 -2.079 0.00 0.00 -0.255 NA ATOM 17 C LIG 1 -5.954 -0.216 -3.394 0.00 0.00 +0.111 A ATOM 18 C LIG 1 -4.782 0.329 -3.875 0.00 0.00 +0.020 A ATOM 19 C LIG 1 -3.829 0.736 -2.950 0.00 0.00 +0.015 A ATOM 20 C LIG 1 -5.577 -0.146 0.151 0.00 0.00 +0.061 A BRANCH 11 24 ATOM 21 C LIG 1 -5.817 -1.375 4.306 0.00 0.00 +0.128 C ATOM 22 N LIG 1 -5.616 -1.060 2.913 0.00 0.00 -0.313 N ATOM 23 H LIG 1 -5.701 -1.815 2.246 0.00 0.00 +0.149 HD ATOM 24 C LIG 1 -4.904 0.076 2.551 0.00 0.00 +0.262 C ATOM 25 O LIG 1 -4.498 0.896 3.368 0.00 0.00 -0.269 OA ENDBRANCH 11 24 ENDBRANCH 1 13 BRANCH 5 26 ATOM 26 C LIG 1 3.079 -1.306 -0.132 0.00 0.00 +0.022 C ATOM 27 C LIG 1 4.145 -0.792 -1.123 0.00 0.00 +0.027 C ATOM 28 C LIG 1 5.371 -0.200 -0.434 0.00 0.00 +0.108 C ATOM 29 N LIG 1 5.928 -1.119 0.558 0.00 0.00 -0.302 N ATOM 30 C LIG 1 7.282 -1.349 0.760 0.00 0.00 +0.212 C ATOM 31 O LIG 1 7.698 -2.144 1.605 0.00 0.00 -0.276 OA ATOM 32 C LIG 1 8.253 -0.587 -0.105 0.00 0.00 +0.109 C ATOM 33 C LIG 1 4.989 -1.837 1.416 0.00 0.00 +0.108 C ATOM 34 C LIG 1 3.573 -1.281 1.328 0.00 0.00 +0.027 C ENDBRANCH 5 26 BRANCH 6 35 ATOM 35 C LIG 1 0.683 -2.626 -1.452 0.00 0.00 +0.372 C ATOM 36 F LIG 1 1.696 -2.838 -2.340 0.00 0.00 -0.204 F ATOM 37 F LIG 1 -0.452 -3.012 -2.104 0.00 0.00 -0.204 F ENDBRANCH 6 35 TORSDOF 4