REMARK Name = BDB015824 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.733 -1.037 -0.008 0.00 0.00 +0.106 C ENDROOT BRANCH 1 3 ATOM 2 C LIG 1 -1.489 -0.200 -0.792 0.00 0.00 +0.234 C ATOM 3 N LIG 1 -0.713 -1.186 -0.231 0.00 0.00 -0.308 N ATOM 4 H LIG 1 -1.096 -2.124 -0.187 0.00 0.00 +0.149 HD ATOM 5 O LIG 1 -1.021 0.893 -1.119 0.00 0.00 -0.274 OA BRANCH 2 6 ATOM 6 C LIG 1 -2.967 -0.576 -1.022 0.00 0.00 +0.161 C BRANCH 6 7 ATOM 7 N LIG 1 -3.728 0.631 -0.701 0.00 0.00 -0.303 N ATOM 8 H LIG 1 -3.487 1.450 -1.249 0.00 0.00 +0.149 HD ATOM 9 C LIG 1 -4.134 0.861 0.601 0.00 0.00 +0.218 C ATOM 10 O LIG 1 -3.999 0.029 1.494 0.00 0.00 -0.275 OA BRANCH 9 11 ATOM 11 C LIG 1 -4.746 2.233 0.829 0.00 0.00 +0.131 C BRANCH 11 12 ATOM 12 C LIG 1 -6.150 2.164 1.395 0.00 0.00 -0.031 A ATOM 13 C LIG 1 -7.295 1.937 0.579 0.00 0.00 -0.014 A ATOM 14 C LIG 1 -8.571 1.882 1.197 0.00 0.00 -0.018 A ATOM 15 C LIG 1 -9.721 1.663 0.421 0.00 0.00 +0.008 A ATOM 16 C LIG 1 -9.636 1.494 -0.959 0.00 0.00 +0.001 A ATOM 17 C LIG 1 -8.397 1.541 -1.581 0.00 0.00 +0.001 A ATOM 18 C LIG 1 -8.685 2.042 2.585 0.00 0.00 +0.008 A ATOM 19 C LIG 1 -7.559 2.250 3.376 0.00 0.00 +0.001 A ATOM 20 C LIG 1 -7.243 1.760 -0.824 0.00 0.00 +0.009 A ATOM 21 C LIG 1 -6.302 2.307 2.786 0.00 0.00 +0.005 A ENDBRANCH 11 12 ENDBRANCH 9 11 ENDBRANCH 6 7 BRANCH 6 23 ATOM 22 C LIG 1 -4.698 -1.268 -2.746 0.00 0.00 +0.009 C ATOM 23 C LIG 1 -3.207 -1.018 -2.482 0.00 0.00 +0.012 C ATOM 24 C LIG 1 -2.423 -2.287 -2.834 0.00 0.00 +0.009 C ENDBRANCH 6 23 ENDBRANCH 2 6 ENDBRANCH 1 3 BRANCH 1 25 ATOM 25 C LIG 1 1.184 -1.871 1.215 0.00 0.00 +0.060 C BRANCH 25 26 ATOM 26 C LIG 1 0.843 -3.345 1.160 0.00 0.00 -0.046 A ATOM 27 C LIG 1 1.703 -4.265 0.547 0.00 0.00 +0.004 A ATOM 28 C LIG 1 1.363 -5.618 0.485 0.00 0.00 +0.000 A ATOM 29 C LIG 1 0.166 -6.066 1.039 0.00 0.00 +0.000 A ATOM 30 C LIG 1 -0.692 -5.163 1.662 0.00 0.00 +0.000 A ATOM 31 C LIG 1 -0.354 -3.811 1.726 0.00 0.00 +0.004 A ENDBRANCH 25 26 ENDBRANCH 1 25 BRANCH 1 32 ATOM 32 C LIG 1 1.527 -1.312 -1.322 0.00 0.00 +0.135 C BRANCH 32 33 ATOM 33 O LIG 1 1.092 -0.454 -2.391 0.00 0.00 -0.390 OA ATOM 34 H LIG 1 0.513 0.242 -2.016 0.00 0.00 +0.210 HD ENDBRANCH 32 33 BRANCH 32 35 ATOM 35 C LIG 1 3.049 -1.147 -1.214 0.00 0.00 +0.042 C BRANCH 35 36 ATOM 36 C LIG 1 3.497 0.284 -0.907 0.00 0.00 +0.098 C BRANCH 36 37 ATOM 37 C LIG 1 5.006 0.389 -0.795 0.00 0.00 +0.213 C ATOM 38 N LIG 1 5.451 1.692 -0.751 0.00 0.00 -0.315 N ATOM 39 H LIG 1 4.783 2.450 -0.809 0.00 0.00 +0.149 HD ATOM 40 O LIG 1 5.749 -0.581 -0.711 0.00 0.00 -0.276 OA BRANCH 38 41 ATOM 41 C LIG 1 6.861 2.014 -0.625 0.00 0.00 +0.109 C BRANCH 41 42 ATOM 42 C LIG 1 7.355 1.888 0.817 0.00 0.00 +0.054 C BRANCH 42 43 ATOM 43 C LIG 1 8.808 2.272 0.944 0.00 0.00 -0.046 A ATOM 44 C LIG 1 9.174 3.571 1.321 0.00 0.00 +0.004 A ATOM 45 C LIG 1 10.521 3.924 1.417 0.00 0.00 +0.000 A ATOM 46 C LIG 1 11.512 2.985 1.135 0.00 0.00 +0.000 A ATOM 47 C LIG 1 11.157 1.692 0.755 0.00 0.00 +0.000 A ATOM 48 C LIG 1 9.811 1.336 0.659 0.00 0.00 +0.004 A ENDBRANCH 42 43 ENDBRANCH 41 42 ENDBRANCH 38 41 ENDBRANCH 36 37 ENDBRANCH 35 36 ENDBRANCH 32 35 ENDBRANCH 1 32 TORSDOF 16