REMARK Name = BDB042097 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 5.398 -0.102 -0.195 0.00 0.00 -0.282 N ATOM 2 C LIG 1 5.173 -0.977 0.860 0.00 0.00 +0.251 C ATOM 3 O LIG 1 5.939 -1.802 1.317 0.00 0.00 -0.270 OA ATOM 4 C LIG 1 3.822 -0.704 1.354 0.00 0.00 +0.077 A ATOM 5 C LIG 1 3.314 0.384 0.647 0.00 0.00 -0.015 A ATOM 6 C LIG 1 2.043 0.865 0.916 0.00 0.00 +0.011 A ATOM 7 C LIG 1 1.273 0.229 1.911 0.00 0.00 -0.030 A ATOM 8 C LIG 1 1.811 -0.872 2.616 0.00 0.00 +0.044 A ATOM 9 C LIG 1 3.094 -1.339 2.334 0.00 0.00 +0.136 A ATOM 10 F LIG 1 3.580 -2.385 3.011 0.00 0.00 -0.205 F ATOM 11 C LIG 1 4.325 0.873 -0.333 0.00 0.00 +0.144 C ENDROOT BRANCH 1 18 ATOM 12 O LIG 1 10.813 0.027 -1.208 0.00 0.00 -0.275 OA ATOM 13 C LIG 1 9.596 -0.018 -1.053 0.00 0.00 +0.219 C ATOM 14 N LIG 1 8.977 0.742 -0.093 0.00 0.00 -0.255 N ATOM 15 H LIG 1 9.585 1.303 0.487 0.00 0.00 +0.158 HD ATOM 16 C LIG 1 7.627 0.926 0.098 0.00 0.00 +0.240 C ATOM 17 O LIG 1 7.223 1.780 0.887 0.00 0.00 -0.273 OA ATOM 18 C LIG 1 6.700 0.114 -0.819 0.00 0.00 +0.163 C ATOM 19 C LIG 1 7.387 -1.174 -1.274 0.00 0.00 +0.041 C ATOM 20 C LIG 1 8.699 -0.828 -1.960 0.00 0.00 +0.098 C ENDBRANCH 1 18 BRANCH 7 21 ATOM 21 C LIG 1 -0.121 0.733 2.229 0.00 0.00 +0.119 C BRANCH 21 22 ATOM 22 N LIG 1 -1.026 0.695 1.070 0.00 0.00 -0.298 NA ATOM 23 C LIG 1 -1.268 -0.683 0.607 0.00 0.00 +0.086 C ATOM 24 C LIG 1 -2.552 -0.802 -0.211 0.00 0.00 +0.038 C ATOM 25 C LIG 1 -3.774 -0.485 0.671 0.00 0.00 +0.083 C ATOM 26 C LIG 1 -3.440 0.576 1.739 0.00 0.00 +0.038 C ATOM 27 C LIG 1 -2.264 1.452 1.316 0.00 0.00 +0.086 C BRANCH 25 28 ATOM 28 N LIG 1 -5.005 -0.181 -0.125 0.00 0.00 -0.282 N BRANCH 28 29 ATOM 29 C LIG 1 -5.668 -1.340 -0.629 0.00 0.00 +0.126 A ATOM 30 N LIG 1 -5.215 -2.580 -0.321 0.00 0.00 -0.240 NA ATOM 31 C LIG 1 -5.877 -3.657 -0.802 0.00 0.00 +0.113 A ATOM 32 C LIG 1 -7.006 -3.579 -1.592 0.00 0.00 +0.020 A ATOM 33 C LIG 1 -7.488 -2.319 -1.902 0.00 0.00 +0.005 A ATOM 34 C LIG 1 -6.819 -1.196 -1.415 0.00 0.00 +0.044 A ENDBRANCH 28 29 BRANCH 28 35 ATOM 35 C LIG 1 -5.058 1.077 -0.767 0.00 0.00 +0.035 A ATOM 36 C LIG 1 -5.653 2.171 -0.123 0.00 0.00 +0.023 A ATOM 37 C LIG 1 -5.734 3.417 -0.749 0.00 0.00 +0.002 A ATOM 38 C LIG 1 -5.235 3.584 -2.038 0.00 0.00 +0.000 A ATOM 39 C LIG 1 -4.665 2.502 -2.705 0.00 0.00 +0.002 A ATOM 40 C LIG 1 -4.586 1.257 -2.076 0.00 0.00 +0.023 A ENDBRANCH 28 35 ENDBRANCH 25 28 ENDBRANCH 21 22 ENDBRANCH 7 21 TORSDOF 6