REMARK Name = BDB024690 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 4.961 -1.122 -1.198 0.00 0.00 +0.407 C ATOM 2 N LIG 1 3.707 -1.109 -1.832 0.00 0.00 -0.234 N ATOM 3 C LIG 1 3.556 -1.987 -3.013 0.00 0.00 +0.082 C ATOM 4 C LIG 1 4.348 -1.450 -4.217 0.00 0.00 +0.028 C ATOM 5 C LIG 1 2.107 -2.220 -3.468 0.00 0.00 +0.027 C ATOM 6 C LIG 1 1.183 -2.331 -2.274 0.00 0.00 +0.041 C ATOM 7 C LIG 1 1.277 -1.039 -1.514 0.00 0.00 +0.002 A ATOM 8 C LIG 1 0.138 -0.407 -0.973 0.00 0.00 +0.094 A ATOM 9 N LIG 1 -1.165 -0.811 -1.043 0.00 0.00 -0.232 NA ATOM 10 C LIG 1 -1.867 0.079 -0.379 0.00 0.00 +0.112 A ATOM 11 N LIG 1 -1.049 1.094 0.107 0.00 0.00 -0.324 N ATOM 12 C LIG 1 0.248 0.787 -0.263 0.00 0.00 +0.069 A ATOM 13 C LIG 1 1.492 1.392 -0.079 0.00 0.00 +0.030 A ATOM 14 C LIG 1 2.624 0.755 -0.611 0.00 0.00 +0.026 A ATOM 15 C LIG 1 2.543 -0.457 -1.305 0.00 0.00 +0.045 A ATOM 16 O LIG 1 5.949 -1.688 -1.660 0.00 0.00 -0.226 OA ENDROOT BRANCH 11 17 ATOM 17 C LIG 1 -1.524 2.260 0.860 0.00 0.00 +0.090 C ATOM 18 C LIG 1 -1.495 3.574 0.061 0.00 0.00 +0.043 C ATOM 19 C LIG 1 -0.349 4.530 0.401 0.00 0.00 +0.093 C ATOM 20 C LIG 1 -0.204 4.699 1.915 0.00 0.00 +0.018 C ATOM 21 C LIG 1 0.051 3.369 2.610 0.00 0.00 +0.003 C ATOM 22 C LIG 1 -1.028 2.334 2.315 0.00 0.00 +0.025 C BRANCH 19 23 ATOM 23 C LIG 1 -0.579 5.843 -0.234 0.00 0.00 +0.066 C ATOM 24 N LIG 1 -0.768 6.875 -0.728 0.00 0.00 -0.196 NA ENDBRANCH 19 23 ENDBRANCH 11 17 BRANCH 1 26 ATOM 25 C LIG 1 6.243 -0.580 0.695 0.00 0.00 +0.282 C ATOM 26 O LIG 1 4.986 -0.511 0.022 0.00 0.00 -0.453 OA ENDBRANCH 1 26 BRANCH 10 27 ATOM 27 C LIG 1 -3.355 -0.023 -0.200 0.00 0.00 +0.093 C BRANCH 27 28 ATOM 28 C LIG 1 -3.744 -0.594 1.176 0.00 0.00 +0.135 C BRANCH 28 29 ATOM 29 C LIG 1 -3.458 -2.079 1.328 0.00 0.00 -0.033 A ATOM 30 C LIG 1 -4.147 -3.040 0.571 0.00 0.00 +0.004 A ATOM 31 C LIG 1 -3.869 -4.399 0.724 0.00 0.00 +0.000 A ATOM 32 C LIG 1 -2.898 -4.816 1.631 0.00 0.00 +0.000 A ATOM 33 C LIG 1 -2.202 -3.874 2.386 0.00 0.00 +0.000 A ATOM 34 C LIG 1 -2.479 -2.514 2.236 0.00 0.00 +0.004 A ENDBRANCH 28 29 BRANCH 28 35 ATOM 35 C LIG 1 -5.204 -0.283 1.436 0.00 0.00 +0.313 C ATOM 36 O LIG 1 -6.106 -0.249 0.615 0.00 0.00 -0.250 OA BRANCH 35 37 ATOM 37 O LIG 1 -5.461 -0.024 2.736 0.00 0.00 -0.480 OA ATOM 38 H LIG 1 -6.434 0.089 2.771 0.00 0.00 +0.295 HD ENDBRANCH 35 37 ENDBRANCH 28 35 ENDBRANCH 27 28 ENDBRANCH 10 27 TORSDOF 8