REMARK Name = BDB047475 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 0.150 0.476 -0.440 0.00 0.00 -0.295 N ATOM 2 H LIG 1 0.363 -0.015 -1.302 0.00 0.00 +0.154 HD ENDROOT BRANCH 1 12 ATOM 3 C LIG 1 7.614 -0.430 -1.421 0.00 0.00 +0.124 A ATOM 4 C LIG 1 6.832 0.187 -0.449 0.00 0.00 +0.092 A ATOM 5 C LIG 1 5.468 0.446 -0.675 0.00 0.00 +0.139 A ATOM 6 O LIG 1 4.849 1.080 0.378 0.00 0.00 -0.436 OA ATOM 7 C LIG 1 3.602 0.623 0.741 0.00 0.00 +0.247 A ATOM 8 C LIG 1 2.525 0.796 -0.116 0.00 0.00 +0.131 A ATOM 9 N LIG 1 2.687 1.286 -1.430 0.00 0.00 -0.333 N ATOM 10 H LIG 1 1.788 1.551 -1.828 0.00 0.00 +0.147 HD ATOM 11 C LIG 1 3.428 0.360 -2.277 0.00 0.00 +0.140 C ATOM 12 C LIG 1 1.289 0.399 0.411 0.00 0.00 +0.151 A ATOM 13 N LIG 1 1.158 -0.063 1.668 0.00 0.00 -0.218 NA ATOM 14 C LIG 1 2.278 -0.154 2.401 0.00 0.00 +0.227 A ATOM 15 N LIG 1 3.510 0.167 2.003 0.00 0.00 -0.199 NA ATOM 16 C LIG 1 4.872 0.123 -1.903 0.00 0.00 +0.012 A ATOM 17 C LIG 1 5.677 -0.510 -2.871 0.00 0.00 +0.012 A ATOM 18 C LIG 1 7.026 -0.781 -2.632 0.00 0.00 +0.046 A BRANCH 3 20 ATOM 19 C LIG 1 9.584 -0.400 -0.092 0.00 0.00 +0.277 C ATOM 20 O LIG 1 8.940 -0.742 -1.314 0.00 0.00 -0.495 OA ENDBRANCH 3 20 ENDBRANCH 1 12 BRANCH 1 21 ATOM 21 C LIG 1 -1.199 0.338 -0.074 0.00 0.00 +0.069 A ATOM 22 C LIG 1 -1.726 0.635 1.168 0.00 0.00 +0.139 A ATOM 23 N LIG 1 -3.043 0.572 1.485 0.00 0.00 -0.221 NA ATOM 24 C LIG 1 -3.881 0.218 0.500 0.00 0.00 +0.222 A ATOM 25 N LIG 1 -3.494 -0.060 -0.746 0.00 0.00 -0.221 NA ATOM 26 C LIG 1 -2.173 0.022 -1.005 0.00 0.00 +0.139 A BRANCH 24 27 ATOM 27 N LIG 1 -5.209 0.155 0.891 0.00 0.00 -0.250 N ATOM 28 H LIG 1 -5.333 0.413 1.856 0.00 0.00 +0.158 HD ATOM 29 C LIG 1 -6.279 -0.125 0.081 0.00 0.00 +0.250 C ATOM 30 O LIG 1 -6.263 -0.318 -1.129 0.00 0.00 -0.270 OA BRANCH 29 31 ATOM 31 C LIG 1 -7.599 -0.152 0.776 0.00 0.00 +0.037 A ATOM 32 C LIG 1 -7.733 -0.603 2.099 0.00 0.00 +0.016 A ATOM 33 C LIG 1 -8.992 -0.614 2.706 0.00 0.00 +0.039 A ATOM 34 C LIG 1 -10.106 -0.187 1.991 0.00 0.00 +0.123 A ATOM 35 F LIG 1 -11.309 -0.201 2.578 0.00 0.00 -0.205 F ATOM 36 C LIG 1 -9.991 0.247 0.675 0.00 0.00 +0.039 A ATOM 37 C LIG 1 -8.736 0.259 0.063 0.00 0.00 +0.016 A ENDBRANCH 29 31 ENDBRANCH 24 27 ENDBRANCH 1 21 TORSDOF 5