REMARK Name = BDB024658 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 6.296 -0.300 -0.756 0.00 0.00 +0.407 C ATOM 2 N LIG 1 5.220 -1.018 -0.206 0.00 0.00 -0.234 N ATOM 3 C LIG 1 5.375 -2.458 0.117 0.00 0.00 +0.082 C ATOM 4 C LIG 1 6.310 -2.662 1.323 0.00 0.00 +0.028 C ATOM 5 C LIG 1 4.065 -3.200 0.426 0.00 0.00 +0.027 C ATOM 6 C LIG 1 2.954 -2.727 -0.481 0.00 0.00 +0.041 C ATOM 7 C LIG 1 2.772 -1.258 -0.237 0.00 0.00 +0.002 A ATOM 8 C LIG 1 1.491 -0.670 -0.169 0.00 0.00 +0.094 A ATOM 9 N LIG 1 0.263 -1.271 -0.269 0.00 0.00 -0.232 NA ATOM 10 C LIG 1 -0.630 -0.312 -0.145 0.00 0.00 +0.112 A ATOM 11 N LIG 1 -0.012 0.913 0.035 0.00 0.00 -0.324 N ATOM 12 C LIG 1 1.353 0.699 0.025 0.00 0.00 +0.069 A ATOM 13 C LIG 1 2.462 1.537 0.163 0.00 0.00 +0.030 A ATOM 14 C LIG 1 3.731 0.947 0.088 0.00 0.00 +0.026 A ATOM 15 C LIG 1 3.909 -0.429 -0.116 0.00 0.00 +0.045 A ATOM 16 O LIG 1 6.282 0.874 -1.112 0.00 0.00 -0.226 OA ENDROOT BRANCH 11 17 ATOM 17 C LIG 1 -0.693 2.198 0.184 0.00 0.00 +0.089 C ATOM 18 C LIG 1 -0.394 3.164 -0.970 0.00 0.00 +0.027 C ATOM 19 C LIG 1 -1.260 4.431 -0.904 0.00 0.00 +0.033 C ATOM 20 C LIG 1 -1.653 4.840 0.525 0.00 0.00 +0.118 C ATOM 21 C LIG 1 -0.610 4.370 1.540 0.00 0.00 +0.033 C ATOM 22 C LIG 1 -0.458 2.844 1.562 0.00 0.00 +0.027 C BRANCH 20 23 ATOM 23 O LIG 1 -2.899 4.228 0.882 0.00 0.00 -0.380 OA ATOM 24 C LIG 1 -4.030 5.003 0.499 0.00 0.00 +0.194 C ENDBRANCH 20 23 ENDBRANCH 11 17 BRANCH 1 26 ATOM 25 C LIG 1 8.530 -0.403 -1.492 0.00 0.00 +0.282 C ATOM 26 O LIG 1 7.413 -1.075 -0.910 0.00 0.00 -0.453 OA ENDBRANCH 1 26 BRANCH 10 27 ATOM 27 C LIG 1 -2.116 -0.512 -0.195 0.00 0.00 +0.093 C BRANCH 27 28 ATOM 28 C LIG 1 -2.514 -1.983 -0.417 0.00 0.00 +0.135 C BRANCH 28 29 ATOM 29 C LIG 1 -4.006 -2.195 -0.190 0.00 0.00 -0.031 A ATOM 30 C LIG 1 -4.444 -3.071 0.813 0.00 0.00 +0.043 A ATOM 31 C LIG 1 -5.806 -3.270 1.027 0.00 0.00 +0.127 A ATOM 32 F LIG 1 -6.192 -4.114 1.995 0.00 0.00 -0.205 F ATOM 33 C LIG 1 -6.767 -2.611 0.258 0.00 0.00 -0.015 A ATOM 34 C LIG 1 -8.223 -2.851 0.513 0.00 0.00 +0.047 C ATOM 35 C LIG 1 -6.336 -1.739 -0.746 0.00 0.00 +0.006 A ATOM 36 C LIG 1 -4.970 -1.534 -0.969 0.00 0.00 +0.005 A ENDBRANCH 28 29 BRANCH 28 37 ATOM 37 C LIG 1 -2.090 -2.517 -1.776 0.00 0.00 +0.313 C ATOM 38 O LIG 1 -1.834 -3.684 -2.039 0.00 0.00 -0.250 OA BRANCH 37 39 ATOM 39 O LIG 1 -2.102 -1.603 -2.769 0.00 0.00 -0.480 OA ATOM 40 H LIG 1 -1.789 -2.120 -3.541 0.00 0.00 +0.295 HD ENDBRANCH 37 39 ENDBRANCH 28 37 ENDBRANCH 27 28 ENDBRANCH 10 27 TORSDOF 8