REMARK Name = BDB041096 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -3.877 -0.884 -0.076 0.00 0.00 +0.163 A ATOM 2 N LIG 1 -4.384 -2.000 -0.624 0.00 0.00 -0.226 NA ATOM 3 C LIG 1 -3.508 -2.880 -1.127 0.00 0.00 +0.095 A ATOM 4 C LIG 1 -2.119 -2.711 -1.098 0.00 0.00 +0.129 A ATOM 5 N LIG 1 -1.245 -3.634 -1.598 0.00 0.00 -0.250 NA ATOM 6 C LIG 1 -1.758 -4.746 -2.160 0.00 0.00 +0.111 A ATOM 7 C LIG 1 -3.111 -4.995 -2.241 0.00 0.00 +0.022 A ATOM 8 C LIG 1 -1.708 -1.520 -0.483 0.00 0.00 +0.149 A ATOM 9 C LIG 1 -3.982 -4.045 -1.713 0.00 0.00 +0.031 A ATOM 10 N LIG 1 -2.567 -0.612 0.026 0.00 0.00 -0.211 NA ENDROOT BRANCH 1 12 ATOM 11 C LIG 1 -4.822 1.468 0.237 0.00 0.00 -0.034 A ATOM 12 C LIG 1 -4.830 0.074 0.509 0.00 0.00 +0.023 A ATOM 13 C LIG 1 -5.805 -0.425 1.403 0.00 0.00 +0.012 A ATOM 14 C LIG 1 -6.723 0.411 2.037 0.00 0.00 +0.001 A ATOM 15 C LIG 1 -6.689 1.776 1.793 0.00 0.00 +0.000 A ATOM 16 C LIG 1 -5.749 2.298 0.905 0.00 0.00 +0.004 A BRANCH 11 18 ATOM 17 C LIG 1 -2.776 2.912 -0.026 0.00 0.00 +0.012 C ATOM 18 C LIG 1 -3.849 2.100 -0.757 0.00 0.00 +0.014 C ATOM 19 C LIG 1 -4.558 2.965 -1.807 0.00 0.00 +0.012 C ENDBRANCH 11 18 ENDBRANCH 1 12 BRANCH 8 20 ATOM 20 N LIG 1 -0.322 -1.224 -0.473 0.00 0.00 -0.323 N ATOM 21 H LIG 1 0.191 -2.099 -0.366 0.00 0.00 +0.148 HD BRANCH 20 22 ATOM 22 C LIG 1 0.077 -0.205 0.482 0.00 0.00 +0.138 C BRANCH 22 23 ATOM 23 C LIG 1 1.586 -0.102 0.500 0.00 0.00 -0.030 A ATOM 24 C LIG 1 2.313 -0.407 1.657 0.00 0.00 +0.006 A ATOM 25 C LIG 1 3.708 -0.310 1.663 0.00 0.00 +0.012 A ATOM 26 C LIG 1 4.404 0.102 0.519 0.00 0.00 +0.017 A ATOM 27 C LIG 1 3.679 0.384 -0.644 0.00 0.00 +0.012 A ATOM 28 C LIG 1 2.284 0.290 -0.652 0.00 0.00 +0.006 A BRANCH 26 29 ATOM 29 C LIG 1 5.865 0.191 0.563 0.00 0.00 +0.141 A ATOM 30 N LIG 1 6.622 1.262 0.139 0.00 0.00 -0.333 N ATOM 31 C LIG 1 6.138 2.528 -0.360 0.00 0.00 +0.150 C ATOM 32 C LIG 1 7.943 0.961 0.335 0.00 0.00 +0.119 A ATOM 33 C LIG 1 7.962 -0.292 0.919 0.00 0.00 +0.162 A ATOM 34 N LIG 1 6.657 -0.740 1.067 0.00 0.00 -0.224 NA BRANCH 33 35 ATOM 35 C LIG 1 9.145 -1.104 1.361 0.00 0.00 +0.436 C ATOM 36 F LIG 1 9.257 -2.273 0.678 0.00 0.00 -0.164 F ATOM 37 F LIG 1 9.096 -1.417 2.683 0.00 0.00 -0.164 F ATOM 38 F LIG 1 10.317 -0.434 1.170 0.00 0.00 -0.164 F ENDBRANCH 33 35 ENDBRANCH 26 29 ENDBRANCH 22 23 ENDBRANCH 20 22 ENDBRANCH 8 20 TORSDOF 7