REMARK Name = BDB024975 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -5.465 -2.157 0.915 0.00 0.00 +0.407 C ATOM 2 N LIG 1 -4.365 -2.190 0.040 0.00 0.00 -0.234 N ATOM 3 C LIG 1 -4.181 -3.429 -0.743 0.00 0.00 +0.082 C ATOM 4 C LIG 1 -5.255 -3.571 -1.834 0.00 0.00 +0.028 C ATOM 5 C LIG 1 -2.805 -3.572 -1.415 0.00 0.00 +0.027 C ATOM 6 C LIG 1 -1.713 -3.027 -0.519 0.00 0.00 +0.041 C ATOM 7 C LIG 1 -2.013 -1.576 -0.279 0.00 0.00 +0.002 A ATOM 8 C LIG 1 -1.005 -0.589 -0.299 0.00 0.00 +0.094 A ATOM 9 N LIG 1 0.331 -0.744 -0.545 0.00 0.00 -0.232 NA ATOM 10 C LIG 1 0.861 0.461 -0.492 0.00 0.00 +0.112 A ATOM 11 N LIG 1 -0.094 1.407 -0.138 0.00 0.00 -0.322 N ATOM 12 C LIG 1 -1.310 0.749 -0.066 0.00 0.00 +0.070 A ATOM 13 C LIG 1 -2.627 1.154 0.163 0.00 0.00 +0.030 A ATOM 14 C LIG 1 -3.625 0.169 0.191 0.00 0.00 +0.026 A ATOM 15 C LIG 1 -3.340 -1.187 -0.001 0.00 0.00 +0.045 A ATOM 16 O LIG 1 -6.340 -3.019 0.937 0.00 0.00 -0.226 OA ENDROOT BRANCH 11 17 ATOM 17 C LIG 1 0.167 2.824 0.143 0.00 0.00 +0.115 C ATOM 18 C LIG 1 -0.618 3.805 -0.744 0.00 0.00 +0.184 C ATOM 19 O LIG 1 -1.846 4.261 -0.175 0.00 0.00 -0.378 OA ATOM 20 C LIG 1 -1.671 4.848 1.111 0.00 0.00 +0.160 C ATOM 21 C LIG 1 -1.195 3.798 2.100 0.00 0.00 +0.030 C ATOM 22 C LIG 1 0.112 3.166 1.642 0.00 0.00 +0.029 C ENDBRANCH 11 17 BRANCH 1 24 ATOM 23 C LIG 1 -6.537 -1.117 2.730 0.00 0.00 +0.282 C ATOM 24 O LIG 1 -5.452 -1.120 1.802 0.00 0.00 -0.453 OA ENDBRANCH 1 24 BRANCH 10 25 ATOM 25 C LIG 1 2.313 0.695 -0.799 0.00 0.00 +0.093 C BRANCH 25 26 ATOM 26 C LIG 1 3.218 -0.015 0.225 0.00 0.00 +0.135 C BRANCH 26 27 ATOM 27 C LIG 1 4.616 -0.230 -0.335 0.00 0.00 -0.033 A ATOM 28 C LIG 1 5.003 -1.507 -0.767 0.00 0.00 +0.005 A ATOM 29 C LIG 1 6.277 -1.721 -1.299 0.00 0.00 +0.009 A ATOM 30 C LIG 1 7.185 -0.662 -1.425 0.00 0.00 +0.017 A ATOM 31 C LIG 1 6.798 0.615 -0.998 0.00 0.00 +0.009 A ATOM 32 C LIG 1 5.525 0.831 -0.465 0.00 0.00 +0.005 A BRANCH 30 33 ATOM 33 C LIG 1 8.569 -0.896 -1.973 0.00 0.00 +0.372 C ATOM 34 F LIG 1 9.038 0.156 -2.700 0.00 0.00 -0.204 F ATOM 35 F LIG 1 8.643 -1.978 -2.800 0.00 0.00 -0.204 F ENDBRANCH 30 33 ENDBRANCH 26 27 BRANCH 26 36 ATOM 36 C LIG 1 3.257 0.761 1.534 0.00 0.00 +0.313 C ATOM 37 O LIG 1 2.985 1.949 1.649 0.00 0.00 -0.250 OA BRANCH 36 38 ATOM 38 O LIG 1 3.674 0.022 2.590 0.00 0.00 -0.480 OA ATOM 39 H LIG 1 3.898 -0.900 2.355 0.00 0.00 +0.295 HD ENDBRANCH 36 38 ENDBRANCH 26 36 ENDBRANCH 25 26 ENDBRANCH 10 25 TORSDOF 8