REMARK Name = BDB024128 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.971 -1.370 2.386 0.00 0.00 +0.171 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -2.637 -2.740 2.281 0.00 0.00 -0.022 A ATOM 3 C LIG 1 -2.160 -3.753 1.433 0.00 0.00 +0.005 A ATOM 4 C LIG 1 -2.769 -5.011 1.402 0.00 0.00 +0.000 A ATOM 5 C LIG 1 -3.853 -5.288 2.230 0.00 0.00 +0.000 A ATOM 6 C LIG 1 -4.327 -4.308 3.096 0.00 0.00 +0.000 A ATOM 7 C LIG 1 -3.720 -3.051 3.127 0.00 0.00 +0.005 A ENDBRANCH 1 2 BRANCH 1 10 ATOM 8 N LIG 1 0.231 -0.448 1.817 0.00 0.00 -0.284 N ATOM 9 H LIG 1 0.278 -0.360 2.825 0.00 0.00 +0.155 HD ATOM 10 C LIG 1 -0.925 -1.012 1.284 0.00 0.00 +0.239 C ATOM 11 O LIG 1 -1.148 -1.173 0.086 0.00 0.00 -0.273 OA BRANCH 8 15 ATOM 12 C LIG 1 3.729 1.025 -0.140 0.00 0.00 +0.030 A ATOM 13 C LIG 1 3.567 1.040 1.252 0.00 0.00 +0.025 A ATOM 14 C LIG 1 2.408 0.550 1.873 0.00 0.00 +0.025 A ATOM 15 C LIG 1 1.362 0.021 1.117 0.00 0.00 +0.034 A ATOM 16 C LIG 1 1.500 -0.009 -0.265 0.00 0.00 +0.025 A ATOM 17 C LIG 1 2.664 0.485 -0.876 0.00 0.00 +0.025 A BRANCH 12 22 ATOM 18 C LIG 1 8.123 2.217 -3.184 0.00 0.00 +0.105 C ATOM 19 N LIG 1 7.325 2.659 -2.043 0.00 0.00 -0.302 NA ATOM 20 C LIG 1 7.340 1.638 -0.973 0.00 0.00 +0.103 C ATOM 21 C LIG 1 6.129 1.709 -0.014 0.00 0.00 +0.120 C ATOM 22 N LIG 1 4.871 1.508 -0.753 0.00 0.00 -0.327 N ATOM 23 C LIG 1 4.874 1.917 -2.168 0.00 0.00 +0.120 C ATOM 24 C LIG 1 5.943 3.002 -2.438 0.00 0.00 +0.103 C ENDBRANCH 12 22 ENDBRANCH 8 15 ENDBRANCH 1 10 BRANCH 1 25 ATOM 25 N LIG 1 -2.921 -0.239 2.589 0.00 0.00 -0.302 NA ATOM 26 H LIG 1 -2.400 0.539 2.993 0.00 0.00 +0.123 HD BRANCH 25 27 ATOM 27 C LIG 1 -3.580 0.273 1.373 0.00 0.00 +0.086 C BRANCH 27 28 ATOM 28 C LIG 1 -4.490 -0.703 0.614 0.00 0.00 +0.050 C BRANCH 28 29 ATOM 29 C LIG 1 -5.163 -0.024 -0.559 0.00 0.00 -0.046 A ATOM 30 C LIG 1 -4.484 0.104 -1.779 0.00 0.00 +0.005 A ATOM 31 C LIG 1 -5.088 0.746 -2.861 0.00 0.00 +0.019 A ATOM 32 C LIG 1 -6.378 1.269 -2.733 0.00 0.00 +0.052 A ATOM 33 C LIG 1 -7.059 1.148 -1.517 0.00 0.00 +0.019 A ATOM 34 C LIG 1 -6.453 0.506 -0.434 0.00 0.00 +0.005 A BRANCH 32 35 ATOM 35 C LIG 1 -7.001 1.929 -3.843 0.00 0.00 +0.099 C ATOM 36 N LIG 1 -7.506 2.466 -4.740 0.00 0.00 -0.191 NA ENDBRANCH 32 35 ENDBRANCH 28 29 ENDBRANCH 27 28 ENDBRANCH 25 27 ENDBRANCH 1 25 TORSDOF 9