REMARK Name = BDB024138 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.172 -1.525 -0.819 0.00 0.00 +0.171 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -2.004 -2.985 -1.227 0.00 0.00 -0.022 A ATOM 3 C LIG 1 -1.610 -3.327 -2.531 0.00 0.00 +0.005 A ATOM 4 C LIG 1 -1.459 -4.664 -2.899 0.00 0.00 +0.000 A ATOM 5 C LIG 1 -1.706 -5.675 -1.973 0.00 0.00 +0.000 A ATOM 6 C LIG 1 -2.108 -5.351 -0.678 0.00 0.00 +0.000 A ATOM 7 C LIG 1 -2.260 -4.013 -0.306 0.00 0.00 +0.005 A ENDBRANCH 1 2 BRANCH 1 10 ATOM 8 N LIG 1 0.115 -1.048 -0.098 0.00 0.00 -0.281 N ATOM 9 H LIG 1 -0.081 -1.815 0.540 0.00 0.00 +0.155 HD ATOM 10 C LIG 1 -0.842 -0.741 -1.056 0.00 0.00 +0.239 C ATOM 11 O LIG 1 -0.685 0.056 -1.980 0.00 0.00 -0.273 OA BRANCH 8 13 ATOM 12 C LIG 1 2.218 -1.076 1.066 0.00 0.00 +0.142 A ATOM 13 C LIG 1 1.411 -0.512 0.055 0.00 0.00 +0.076 A ATOM 14 C LIG 1 1.914 0.531 -0.721 0.00 0.00 +0.027 A ATOM 15 C LIG 1 3.210 1.010 -0.504 0.00 0.00 +0.010 A ATOM 16 C LIG 1 4.021 0.457 0.494 0.00 0.00 -0.011 A ATOM 17 C LIG 1 3.513 -0.588 1.279 0.00 0.00 +0.056 A BRANCH 16 18 ATOM 18 C LIG 1 5.366 0.956 0.727 0.00 0.00 +0.020 A ATOM 19 C LIG 1 6.199 1.484 -0.238 0.00 0.00 +0.116 A ATOM 20 N LIG 1 7.363 1.812 0.394 0.00 0.00 -0.274 N ATOM 21 C LIG 1 8.540 2.397 -0.200 0.00 0.00 +0.172 C ATOM 22 N LIG 1 7.356 1.530 1.709 0.00 0.00 -0.179 NA ATOM 23 C LIG 1 6.141 1.012 1.909 0.00 0.00 +0.142 A ENDBRANCH 16 18 BRANCH 12 25 ATOM 24 C LIG 1 2.450 -2.774 2.730 0.00 0.00 +0.277 C ATOM 25 O LIG 1 1.631 -2.095 1.784 0.00 0.00 -0.493 OA ENDBRANCH 12 25 ENDBRANCH 8 13 ENDBRANCH 1 10 BRANCH 1 26 ATOM 26 N LIG 1 -3.317 -0.928 -1.545 0.00 0.00 -0.302 NA ATOM 27 H LIG 1 -3.998 -1.668 -1.718 0.00 0.00 +0.123 HD BRANCH 26 28 ATOM 28 C LIG 1 -3.993 0.147 -0.809 0.00 0.00 +0.086 C BRANCH 28 29 ATOM 29 C LIG 1 -3.198 1.454 -0.680 0.00 0.00 +0.050 C BRANCH 29 30 ATOM 30 C LIG 1 -4.026 2.544 -0.037 0.00 0.00 -0.046 A ATOM 31 C LIG 1 -4.018 2.718 1.353 0.00 0.00 +0.005 A ATOM 32 C LIG 1 -4.798 3.715 1.945 0.00 0.00 +0.019 A ATOM 33 C LIG 1 -5.596 4.546 1.152 0.00 0.00 +0.052 A ATOM 34 C LIG 1 -5.611 4.374 -0.235 0.00 0.00 +0.019 A ATOM 35 C LIG 1 -4.831 3.378 -0.826 0.00 0.00 +0.005 A BRANCH 33 36 ATOM 36 C LIG 1 -6.396 5.568 1.760 0.00 0.00 +0.099 C ATOM 37 N LIG 1 -7.046 6.393 2.255 0.00 0.00 -0.191 NA ENDBRANCH 33 36 ENDBRANCH 29 30 ENDBRANCH 28 29 ENDBRANCH 26 28 ENDBRANCH 1 26 TORSDOF 10