REMARK Name = BDB024928 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 5.998 1.700 -0.704 0.00 0.00 +0.407 C ATOM 2 N LIG 1 4.996 0.858 -1.222 0.00 0.00 -0.234 N ATOM 3 C LIG 1 5.491 -0.179 -2.148 0.00 0.00 +0.082 C ATOM 4 C LIG 1 6.257 -1.274 -1.386 0.00 0.00 +0.028 C ATOM 5 C LIG 1 4.396 -0.774 -3.029 0.00 0.00 +0.027 C ATOM 6 C LIG 1 3.272 -1.308 -2.168 0.00 0.00 +0.041 C ATOM 7 C LIG 1 2.760 -0.217 -1.272 0.00 0.00 +0.002 A ATOM 8 C LIG 1 1.411 -0.242 -0.847 0.00 0.00 +0.094 A ATOM 9 N LIG 1 0.450 -1.179 -1.117 0.00 0.00 -0.230 NA ATOM 10 C LIG 1 -0.658 -0.768 -0.528 0.00 0.00 +0.132 A ATOM 11 N LIG 1 -0.431 0.420 0.155 0.00 0.00 -0.323 N ATOM 12 C LIG 1 0.888 0.780 -0.069 0.00 0.00 +0.069 A ATOM 13 C LIG 1 1.667 1.877 0.296 0.00 0.00 +0.030 A ATOM 14 C LIG 1 3.010 1.887 -0.112 0.00 0.00 +0.026 A ATOM 15 C LIG 1 3.600 0.844 -0.844 0.00 0.00 +0.045 A ATOM 16 O LIG 1 7.123 1.784 -1.195 0.00 0.00 -0.226 OA ENDROOT BRANCH 11 17 ATOM 17 C LIG 1 -1.404 1.175 0.950 0.00 0.00 +0.090 C ATOM 18 C LIG 1 -0.985 1.318 2.427 0.00 0.00 +0.039 C ATOM 19 C LIG 1 -1.959 2.163 3.265 0.00 0.00 +0.100 C ATOM 20 C LIG 1 -2.311 3.482 2.568 0.00 0.00 +0.015 C ATOM 21 C LIG 1 -2.793 3.278 1.134 0.00 0.00 +0.003 C ATOM 22 C LIG 1 -1.763 2.522 0.304 0.00 0.00 +0.025 C BRANCH 19 23 ATOM 23 C LIG 1 -3.223 1.449 3.705 0.00 0.00 +0.308 C ATOM 24 O LIG 1 -4.074 1.913 4.447 0.00 0.00 -0.251 OA BRANCH 23 25 ATOM 25 O LIG 1 -3.377 0.208 3.218 0.00 0.00 -0.480 OA ATOM 26 H LIG 1 -4.209 -0.095 3.645 0.00 0.00 +0.295 HD ENDBRANCH 23 25 ENDBRANCH 19 23 ENDBRANCH 11 17 BRANCH 1 28 ATOM 27 C LIG 1 6.711 3.166 0.988 0.00 0.00 +0.282 C ATOM 28 O LIG 1 5.665 2.365 0.436 0.00 0.00 -0.453 OA ENDBRANCH 1 28 BRANCH 10 29 ATOM 29 C LIG 1 -1.958 -1.529 -0.638 0.00 0.00 +0.143 C BRANCH 29 30 ATOM 30 N LIG 1 -3.043 -0.638 -1.040 0.00 0.00 -0.305 N ATOM 31 H LIG 1 -3.888 -0.645 -0.484 0.00 0.00 +0.149 HD ATOM 32 C LIG 1 -3.245 -0.070 -2.262 0.00 0.00 +0.210 C ATOM 33 O LIG 1 -4.306 0.516 -2.473 0.00 0.00 -0.276 OA ATOM 34 C LIG 1 -2.153 -0.132 -3.294 0.00 0.00 +0.109 C ENDBRANCH 29 30 BRANCH 29 35 ATOM 35 C LIG 1 -2.244 -2.300 0.667 0.00 0.00 +0.065 C BRANCH 35 36 ATOM 36 C LIG 1 -3.422 -3.241 0.555 0.00 0.00 -0.045 A ATOM 37 C LIG 1 -3.284 -4.470 -0.106 0.00 0.00 +0.004 A ATOM 38 C LIG 1 -4.374 -5.332 -0.230 0.00 0.00 +0.000 A ATOM 39 C LIG 1 -5.610 -4.976 0.305 0.00 0.00 +0.000 A ATOM 40 C LIG 1 -5.758 -3.758 0.966 0.00 0.00 +0.000 A ATOM 41 C LIG 1 -4.669 -2.894 1.091 0.00 0.00 +0.004 A ENDBRANCH 35 36 ENDBRANCH 29 35 ENDBRANCH 10 29 TORSDOF 8