REMARK Name = BDB010938 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.443 0.448 1.031 0.00 0.00 +0.248 C ATOM 2 N LIG 1 -1.218 1.579 0.848 0.00 0.00 -0.281 N ATOM 3 H LIG 1 -0.730 2.457 0.732 0.00 0.00 +0.155 HD ATOM 4 O LIG 1 -0.830 -0.714 1.040 0.00 0.00 -0.270 OA ENDROOT BRANCH 1 9 ATOM 5 C LIG 1 3.297 -0.044 0.774 0.00 0.00 -0.032 A ATOM 6 C LIG 1 3.773 1.097 1.439 0.00 0.00 +0.017 A ATOM 7 C LIG 1 2.888 2.040 1.987 0.00 0.00 +0.056 A ATOM 8 C LIG 1 1.505 1.826 1.866 0.00 0.00 +0.025 A ATOM 9 C LIG 1 1.018 0.702 1.186 0.00 0.00 +0.038 A ATOM 10 C LIG 1 1.914 -0.235 0.657 0.00 0.00 +0.018 A BRANCH 7 11 ATOM 11 C LIG 1 3.412 3.244 2.732 0.00 0.00 +0.417 C ATOM 12 F LIG 1 2.618 4.341 2.569 0.00 0.00 -0.166 F ATOM 13 F LIG 1 3.483 3.032 4.074 0.00 0.00 -0.166 F ATOM 14 F LIG 1 4.658 3.627 2.341 0.00 0.00 -0.166 F ENDBRANCH 7 11 BRANCH 5 15 ATOM 15 C LIG 1 4.267 -1.059 0.203 0.00 0.00 +0.119 C BRANCH 15 19 ATOM 16 C LIG 1 8.252 -1.681 -2.644 0.00 0.00 +0.009 C ATOM 17 C LIG 1 7.307 -0.668 -1.995 0.00 0.00 +0.000 C ATOM 18 C LIG 1 6.240 -1.404 -1.159 0.00 0.00 +0.088 C ATOM 19 N LIG 1 5.147 -0.488 -0.827 0.00 0.00 -0.298 NA ATOM 20 C LIG 1 4.398 -0.087 -2.032 0.00 0.00 +0.085 C ATOM 21 C LIG 1 5.234 -0.092 -3.319 0.00 0.00 +0.016 C ATOM 22 C LIG 1 6.686 0.272 -3.044 0.00 0.00 +0.006 C ENDBRANCH 15 19 ENDBRANCH 5 15 ENDBRANCH 1 9 BRANCH 2 23 ATOM 23 C LIG 1 -2.622 1.642 0.716 0.00 0.00 +0.034 A ATOM 24 C LIG 1 -3.473 0.540 0.837 0.00 0.00 +0.027 A ATOM 25 C LIG 1 -4.869 0.680 0.699 0.00 0.00 -0.035 A ATOM 26 C LIG 1 -5.399 1.954 0.447 0.00 0.00 +0.004 A ATOM 27 C LIG 1 -4.558 3.058 0.328 0.00 0.00 +0.002 A ATOM 28 C LIG 1 -3.178 2.901 0.462 0.00 0.00 +0.023 A BRANCH 25 29 ATOM 29 C LIG 1 -5.808 -0.517 0.834 0.00 0.00 +0.094 C BRANCH 29 30 ATOM 30 C LIG 1 -5.441 -1.663 -0.071 0.00 0.00 +0.141 A ATOM 31 N LIG 1 -5.363 -1.605 -1.441 0.00 0.00 -0.320 N ATOM 32 C LIG 1 -5.589 -0.473 -2.297 0.00 0.00 +0.151 C ATOM 33 C LIG 1 -5.030 -2.857 -1.858 0.00 0.00 +0.224 A ATOM 34 N LIG 1 -4.922 -3.651 -0.821 0.00 0.00 -0.138 NA ATOM 35 N LIG 1 -5.179 -2.903 0.302 0.00 0.00 -0.134 NA ENDBRANCH 29 30 BRANCH 29 36 ATOM 36 C LIG 1 -5.837 -0.960 2.302 0.00 0.00 +0.055 C ATOM 37 C LIG 1 -7.002 -1.894 2.676 0.00 0.00 +0.166 C ATOM 38 O LIG 1 -7.717 -0.800 3.307 0.00 0.00 -0.379 OA ATOM 39 C LIG 1 -6.510 0.001 3.296 0.00 0.00 +0.166 C ENDBRANCH 29 36 ENDBRANCH 25 29 ENDBRANCH 2 23 TORSDOF 8