REMARK Name = BDB034615 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.258 -1.517 0.459 0.00 0.00 +0.267 C ATOM 2 N LIG 1 1.521 -1.155 -0.856 0.00 0.00 -0.280 N ATOM 3 H LIG 1 0.739 -1.156 -1.499 0.00 0.00 +0.155 HD ATOM 4 O LIG 1 2.073 -1.590 1.372 0.00 0.00 -0.268 OA ENDROOT BRANCH 1 9 ATOM 5 C LIG 1 -2.502 -1.250 0.609 0.00 0.00 -0.029 A ATOM 6 C LIG 1 -2.768 -2.442 1.292 0.00 0.00 +0.028 A ATOM 7 C LIG 1 -1.722 -3.285 1.681 0.00 0.00 +0.046 A ATOM 8 N LIG 1 -0.434 -2.968 1.406 0.00 0.00 -0.247 NA ATOM 9 C LIG 1 -0.183 -1.817 0.737 0.00 0.00 +0.126 A ATOM 10 C LIG 1 -1.172 -0.939 0.318 0.00 0.00 +0.038 A BRANCH 7 11 ATOM 11 C LIG 1 -2.004 -4.562 2.435 0.00 0.00 +0.038 C ATOM 12 C LIG 1 -2.772 -5.684 1.773 0.00 0.00 +0.010 C ATOM 13 C LIG 1 -1.305 -5.842 2.035 0.00 0.00 +0.010 C ENDBRANCH 7 11 BRANCH 5 14 ATOM 14 C LIG 1 -3.629 -0.336 0.172 0.00 0.00 +0.120 C BRANCH 14 16 ATOM 15 C LIG 1 -4.444 2.013 -0.016 0.00 0.00 +0.074 C ATOM 16 N LIG 1 -3.416 1.071 0.533 0.00 0.00 -0.293 NA ATOM 17 C LIG 1 -3.365 1.273 2.005 0.00 0.00 +0.100 C ATOM 18 C LIG 1 -4.728 1.156 2.724 0.00 0.00 +0.099 C ATOM 19 N LIG 1 -5.728 2.076 2.159 0.00 0.00 -0.303 NA ATOM 20 C LIG 1 -7.026 1.903 2.804 0.00 0.00 +0.105 C ATOM 21 C LIG 1 -5.830 1.900 0.699 0.00 0.00 +0.103 C BRANCH 15 23 ATOM 22 C LIG 1 -5.620 1.067 -2.156 0.00 0.00 +0.009 C ATOM 23 C LIG 1 -4.553 2.006 -1.576 0.00 0.00 +0.001 C ATOM 24 C LIG 1 -4.829 3.425 -2.099 0.00 0.00 +0.009 C ENDBRANCH 15 23 ENDBRANCH 14 16 ENDBRANCH 5 14 ENDBRANCH 1 9 BRANCH 2 25 ATOM 25 C LIG 1 2.771 -0.818 -1.417 0.00 0.00 +0.034 A ATOM 26 C LIG 1 3.983 -0.886 -0.721 0.00 0.00 +0.027 A ATOM 27 C LIG 1 5.219 -0.524 -1.306 0.00 0.00 -0.035 A ATOM 28 C LIG 1 5.172 -0.075 -2.639 0.00 0.00 +0.004 A ATOM 29 C LIG 1 3.976 -0.014 -3.354 0.00 0.00 +0.002 A ATOM 30 C LIG 1 2.781 -0.391 -2.746 0.00 0.00 +0.023 A BRANCH 27 31 ATOM 31 C LIG 1 6.591 -0.596 -0.475 0.00 0.00 +0.049 C ATOM 32 C LIG 1 6.867 -1.918 0.294 0.00 0.00 +0.174 C ATOM 33 O LIG 1 8.233 -1.955 -0.185 0.00 0.00 -0.378 OA ATOM 34 C LIG 1 7.899 -0.988 -1.216 0.00 0.00 +0.174 C BRANCH 31 35 ATOM 35 C LIG 1 6.749 0.629 0.446 0.00 0.00 +0.092 C BRANCH 35 36 ATOM 36 C LIG 1 6.740 1.914 -0.312 0.00 0.00 +0.134 A ATOM 37 N LIG 1 5.758 2.869 -0.246 0.00 0.00 -0.320 N ATOM 38 C LIG 1 4.570 2.857 0.563 0.00 0.00 +0.151 C ATOM 39 C LIG 1 6.124 3.849 -1.116 0.00 0.00 +0.224 A ATOM 40 N LIG 1 7.262 3.529 -1.684 0.00 0.00 -0.138 NA ATOM 41 N LIG 1 7.653 2.313 -1.176 0.00 0.00 -0.135 NA ENDBRANCH 35 36 ENDBRANCH 31 35 ENDBRANCH 27 31 ENDBRANCH 2 25 TORSDOF 9