REMARK Name = BDB025189 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 4.799 -1.587 1.248 0.00 0.00 +0.407 C ATOM 2 N LIG 1 4.155 -0.716 0.352 0.00 0.00 -0.234 N ATOM 3 C LIG 1 4.947 0.274 -0.420 0.00 0.00 +0.082 C ATOM 4 C LIG 1 5.817 -0.416 -1.487 0.00 0.00 +0.028 C ATOM 5 C LIG 1 4.119 1.352 -1.137 0.00 0.00 +0.027 C ATOM 6 C LIG 1 2.959 1.797 -0.277 0.00 0.00 +0.041 C ATOM 7 C LIG 1 2.103 0.591 -0.018 0.00 0.00 +0.002 A ATOM 8 C LIG 1 0.694 0.662 -0.043 0.00 0.00 +0.096 A ATOM 9 N LIG 1 -0.106 1.736 -0.326 0.00 0.00 -0.214 NA ATOM 10 C LIG 1 -1.350 1.315 -0.258 0.00 0.00 +0.201 A ATOM 11 N LIG 1 -1.380 -0.015 0.145 0.00 0.00 -0.308 N ATOM 12 C LIG 1 -0.073 -0.460 0.236 0.00 0.00 +0.071 A ATOM 13 C LIG 1 0.510 -1.694 0.532 0.00 0.00 +0.030 A ATOM 14 C LIG 1 1.910 -1.756 0.559 0.00 0.00 +0.026 A ATOM 15 C LIG 1 2.718 -0.640 0.300 0.00 0.00 +0.045 A ATOM 16 O LIG 1 4.258 -2.417 1.972 0.00 0.00 -0.226 OA ENDROOT BRANCH 11 17 ATOM 17 C LIG 1 -2.573 -0.792 0.475 0.00 0.00 +0.091 C ATOM 18 C LIG 1 -2.845 -1.915 -0.543 0.00 0.00 +0.040 C ATOM 19 C LIG 1 -3.727 -3.039 0.022 0.00 0.00 +0.100 C ATOM 20 C LIG 1 -4.685 -2.520 1.097 0.00 0.00 +0.015 C ATOM 21 C LIG 1 -3.940 -1.919 2.290 0.00 0.00 +0.003 C ATOM 22 C LIG 1 -2.586 -1.305 1.922 0.00 0.00 +0.025 C BRANCH 19 23 ATOM 23 C LIG 1 -4.492 -3.694 -1.104 0.00 0.00 +0.308 C ATOM 24 O LIG 1 -5.649 -3.482 -1.425 0.00 0.00 -0.251 OA BRANCH 23 25 ATOM 25 O LIG 1 -3.734 -4.568 -1.793 0.00 0.00 -0.480 OA ATOM 26 H LIG 1 -4.332 -4.914 -2.490 0.00 0.00 +0.295 HD ENDBRANCH 23 25 ENDBRANCH 19 23 ENDBRANCH 11 17 BRANCH 1 28 ATOM 27 C LIG 1 6.854 -2.231 2.198 0.00 0.00 +0.282 C ATOM 28 O LIG 1 6.152 -1.391 1.281 0.00 0.00 -0.453 OA ENDBRANCH 1 28 BRANCH 10 29 ATOM 29 N LIG 1 -2.483 2.005 -0.542 0.00 0.00 -0.285 N ATOM 30 H LIG 1 -3.332 1.497 -0.754 0.00 0.00 +0.155 HD BRANCH 29 31 ATOM 31 C LIG 1 -2.598 3.382 -0.841 0.00 0.00 +0.036 A ATOM 32 C LIG 1 -3.805 3.850 -1.389 0.00 0.00 +0.064 A ATOM 33 C LIG 1 -3.971 5.200 -1.695 0.00 0.00 +0.160 A ATOM 34 F LIG 1 -5.132 5.613 -2.221 0.00 0.00 -0.202 F ATOM 35 C LIG 1 -2.949 6.107 -1.460 0.00 0.00 +0.159 A ATOM 36 F LIG 1 -3.114 7.404 -1.754 0.00 0.00 -0.202 F ATOM 37 C LIG 1 -1.751 5.676 -0.912 0.00 0.00 +0.043 A ATOM 38 C LIG 1 -1.580 4.320 -0.604 0.00 0.00 +0.026 A ENDBRANCH 29 31 ENDBRANCH 10 29 TORSDOF 6