REMARK Name = BDB062364 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.028 0.673 -0.341 0.00 0.00 +0.227 C ATOM 2 N LIG 1 -0.209 0.181 0.939 0.00 0.00 -0.287 N ATOM 3 C LIG 1 -1.507 -0.395 1.323 0.00 0.00 +0.165 C ATOM 4 C LIG 1 -1.432 -0.523 2.847 0.00 0.00 +0.065 C ATOM 5 C LIG 1 0.059 -0.642 3.149 0.00 0.00 +0.134 C ATOM 6 C LIG 1 0.722 0.203 2.063 0.00 0.00 +0.140 C ATOM 7 O LIG 1 -0.958 0.607 -1.152 0.00 0.00 -0.275 OA ENDROOT BRANCH 1 8 ATOM 8 C LIG 1 1.342 1.305 -0.737 0.00 0.00 +0.072 C ATOM 9 C LIG 1 1.521 2.601 0.111 0.00 0.00 +0.021 C ATOM 10 C LIG 1 1.838 3.721 -0.873 0.00 0.00 +0.001 C ATOM 11 C LIG 1 1.038 3.333 -2.099 0.00 0.00 +0.001 C ATOM 12 C LIG 1 1.294 1.837 -2.207 0.00 0.00 +0.021 C BRANCH 8 16 ATOM 13 C LIG 1 4.595 -1.618 -0.663 0.00 0.00 +0.120 A ATOM 14 C LIG 1 3.303 -1.992 -1.026 0.00 0.00 +0.046 A ATOM 15 C LIG 1 2.266 -1.054 -1.049 0.00 0.00 +0.008 A ATOM 16 C LIG 1 2.491 0.285 -0.686 0.00 0.00 -0.032 A ATOM 17 C LIG 1 3.805 0.653 -0.349 0.00 0.00 +0.008 A ATOM 18 C LIG 1 4.843 -0.289 -0.331 0.00 0.00 +0.046 A BRANCH 13 20 ATOM 19 C LIG 1 6.838 -2.304 -0.285 0.00 0.00 +0.277 C ATOM 20 O LIG 1 5.514 -2.630 -0.685 0.00 0.00 -0.495 OA ENDBRANCH 13 20 ENDBRANCH 8 16 ENDBRANCH 1 8 BRANCH 3 21 ATOM 21 C LIG 1 -1.648 -1.782 0.660 0.00 0.00 +0.238 C ATOM 22 N LIG 1 -2.709 -2.090 -0.147 0.00 0.00 -0.283 N ATOM 23 H LIG 1 -2.459 -2.828 -0.795 0.00 0.00 +0.155 HD ATOM 24 O LIG 1 -0.744 -2.624 0.768 0.00 0.00 -0.273 OA BRANCH 22 25 ATOM 25 C LIG 1 -3.847 -1.330 -0.458 0.00 0.00 +0.044 A ATOM 26 C LIG 1 -4.688 -0.715 0.496 0.00 0.00 +0.041 A ATOM 27 C LIG 1 -5.786 0.021 0.055 0.00 0.00 +0.068 A ATOM 28 N LIG 1 -6.386 0.505 1.189 0.00 0.00 -0.277 N ATOM 29 H LIG 1 -7.207 1.097 1.250 0.00 0.00 +0.189 HD ATOM 30 N LIG 1 -5.812 0.090 2.330 0.00 0.00 -0.181 NA ATOM 31 C LIG 1 -6.126 0.162 -1.293 0.00 0.00 +0.028 A ATOM 32 C LIG 1 -5.327 -0.509 -2.220 0.00 0.00 +0.004 A ATOM 33 C LIG 1 -4.808 -0.679 1.905 0.00 0.00 +0.144 A ATOM 34 C LIG 1 -4.220 -1.254 -1.811 0.00 0.00 +0.024 A ENDBRANCH 22 25 ENDBRANCH 3 21 BRANCH 5 35 ATOM 35 O LIG 1 0.481 -2.001 3.095 0.00 0.00 -0.390 OA ATOM 36 H LIG 1 0.314 -2.349 2.191 0.00 0.00 +0.210 HD ENDBRANCH 5 35 TORSDOF 6