REMARK Name = BDB038367 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.902 0.681 -0.260 0.00 0.00 -0.263 N ATOM 2 C LIG 1 0.276 1.375 0.039 0.00 0.00 +0.251 C ATOM 3 O LIG 1 0.533 2.564 0.024 0.00 0.00 -0.270 OA ATOM 4 C LIG 1 1.276 0.373 0.430 0.00 0.00 +0.043 A ATOM 5 C LIG 1 2.593 0.565 0.805 0.00 0.00 +0.018 A ATOM 6 C LIG 1 3.355 -0.565 1.139 0.00 0.00 -0.032 A ATOM 7 C LIG 1 2.765 -1.850 1.069 0.00 0.00 +0.017 A ATOM 8 C LIG 1 1.421 -2.028 0.683 0.00 0.00 +0.061 A ATOM 9 C LIG 1 0.691 -0.886 0.365 0.00 0.00 -0.006 A ATOM 10 C LIG 1 -0.730 -0.754 -0.077 0.00 0.00 +0.150 C ENDROOT BRANCH 1 13 ATOM 11 C LIG 1 -4.485 0.955 -1.386 0.00 0.00 -0.015 A ATOM 12 C LIG 1 -3.251 0.432 -0.942 0.00 0.00 +0.032 A ATOM 13 C LIG 1 -2.128 1.247 -0.708 0.00 0.00 +0.038 A ATOM 14 C LIG 1 -2.268 2.620 -0.935 0.00 0.00 +0.023 A ATOM 15 C LIG 1 -3.475 3.159 -1.385 0.00 0.00 +0.002 A ATOM 16 C LIG 1 -4.573 2.333 -1.614 0.00 0.00 +0.008 A BRANCH 11 18 ATOM 17 C LIG 1 -6.900 0.245 -0.979 0.00 0.00 +0.027 A ATOM 18 C LIG 1 -5.644 0.065 -1.609 0.00 0.00 -0.007 A ATOM 19 C LIG 1 -5.505 -1.010 -2.513 0.00 0.00 +0.009 A ATOM 20 C LIG 1 -6.565 -1.874 -2.793 0.00 0.00 +0.001 A ATOM 21 C LIG 1 -7.796 -1.679 -2.182 0.00 0.00 +0.001 A ATOM 22 C LIG 1 -7.964 -0.624 -1.287 0.00 0.00 +0.012 A BRANCH 17 25 ATOM 23 C LIG 1 -5.596 0.694 1.855 0.00 0.00 +0.152 C ATOM 24 N LIG 1 -6.579 1.510 1.198 0.00 0.00 -0.317 N ATOM 25 C LIG 1 -7.176 1.320 -0.024 0.00 0.00 +0.164 A ATOM 26 N LIG 1 -8.094 2.259 -0.178 0.00 0.00 -0.129 NA ATOM 27 N LIG 1 -8.065 3.087 0.918 0.00 0.00 -0.138 NA ATOM 28 C LIG 1 -7.148 2.626 1.734 0.00 0.00 +0.225 A ENDBRANCH 17 25 ENDBRANCH 11 18 ENDBRANCH 1 13 BRANCH 8 29 ATOM 29 C LIG 1 0.792 -3.392 0.610 0.00 0.00 +0.418 C ATOM 30 F LIG 1 -0.297 -3.499 1.420 0.00 0.00 -0.166 F ATOM 31 F LIG 1 0.350 -3.688 -0.643 0.00 0.00 -0.166 F ATOM 32 F LIG 1 1.628 -4.404 0.965 0.00 0.00 -0.166 F ENDBRANCH 8 29 BRANCH 6 33 ATOM 33 C LIG 1 4.807 -0.406 1.530 0.00 0.00 +0.116 C BRANCH 33 34 ATOM 34 N LIG 1 5.633 -0.238 0.338 0.00 0.00 -0.307 NA ATOM 35 H LIG 1 5.527 -1.056 -0.261 0.00 0.00 +0.123 HD BRANCH 34 36 ATOM 36 C LIG 1 7.046 -0.040 0.669 0.00 0.00 +0.082 C ATOM 37 C LIG 1 7.871 0.288 -0.587 0.00 0.00 +0.131 C ATOM 38 C LIG 1 9.308 0.132 -0.107 0.00 0.00 +0.033 C ATOM 39 C LIG 1 9.259 -0.966 0.959 0.00 0.00 +0.004 C ATOM 40 C LIG 1 7.779 -1.271 1.199 0.00 0.00 +0.021 C BRANCH 37 41 ATOM 41 O LIG 1 7.616 1.603 -1.049 0.00 0.00 -0.390 OA ATOM 42 H LIG 1 6.643 1.693 -1.051 0.00 0.00 +0.210 HD ENDBRANCH 37 41 ENDBRANCH 34 36 ENDBRANCH 33 34 ENDBRANCH 6 33 TORSDOF 8