REMARK Name = BDB024137 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.030 -1.561 1.770 0.00 0.00 +0.171 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -1.385 -2.616 0.729 0.00 0.00 -0.022 A ATOM 3 C LIG 1 -1.328 -2.357 -0.651 0.00 0.00 +0.005 A ATOM 4 C LIG 1 -1.655 -3.350 -1.577 0.00 0.00 +0.000 A ATOM 5 C LIG 1 -2.053 -4.610 -1.138 0.00 0.00 +0.000 A ATOM 6 C LIG 1 -2.136 -4.877 0.227 0.00 0.00 +0.000 A ATOM 7 C LIG 1 -1.810 -3.886 1.154 0.00 0.00 +0.005 A ENDBRANCH 1 2 BRANCH 1 10 ATOM 8 N LIG 1 1.268 -1.308 0.900 0.00 0.00 -0.281 N ATOM 9 H LIG 1 1.171 -2.312 0.779 0.00 0.00 +0.155 HD ATOM 10 C LIG 1 0.161 -0.628 1.392 0.00 0.00 +0.239 C ATOM 11 O LIG 1 0.122 0.586 1.589 0.00 0.00 -0.273 OA BRANCH 8 15 ATOM 12 C LIG 1 4.916 0.199 -0.323 0.00 0.00 +0.163 A ATOM 13 N LIG 1 4.029 1.091 0.155 0.00 0.00 -0.234 NA ATOM 14 C LIG 1 2.834 0.598 0.556 0.00 0.00 +0.138 A ATOM 15 C LIG 1 2.494 -0.740 0.499 0.00 0.00 +0.070 A ATOM 16 C LIG 1 3.489 -1.557 -0.011 0.00 0.00 +0.138 A ATOM 17 N LIG 1 4.699 -1.125 -0.426 0.00 0.00 -0.234 NA BRANCH 12 22 ATOM 18 C LIG 1 8.745 3.160 -1.413 0.00 0.00 +0.172 C ATOM 19 N LIG 1 7.888 2.013 -1.238 0.00 0.00 -0.274 N ATOM 20 N LIG 1 8.336 0.793 -1.588 0.00 0.00 -0.179 NA ATOM 21 C LIG 1 7.307 -0.010 -1.296 0.00 0.00 +0.146 A ATOM 22 C LIG 1 6.204 0.689 -0.761 0.00 0.00 +0.056 A ATOM 23 C LIG 1 6.620 2.005 -0.738 0.00 0.00 +0.119 A ENDBRANCH 12 22 ENDBRANCH 8 15 ENDBRANCH 1 10 BRANCH 1 24 ATOM 24 N LIG 1 -2.195 -0.782 2.260 0.00 0.00 -0.302 NA ATOM 25 H LIG 1 -1.815 -0.056 2.874 0.00 0.00 +0.123 HD BRANCH 24 26 ATOM 26 C LIG 1 -2.958 -0.114 1.198 0.00 0.00 +0.086 C BRANCH 26 27 ATOM 27 C LIG 1 -3.992 0.845 1.808 0.00 0.00 +0.050 C BRANCH 27 28 ATOM 28 C LIG 1 -4.794 1.551 0.740 0.00 0.00 -0.046 A ATOM 29 C LIG 1 -5.981 0.987 0.254 0.00 0.00 +0.005 A ATOM 30 C LIG 1 -6.712 1.630 -0.748 0.00 0.00 +0.019 A ATOM 31 C LIG 1 -6.260 2.842 -1.278 0.00 0.00 +0.052 A ATOM 32 C LIG 1 -5.073 3.407 -0.802 0.00 0.00 +0.019 A ATOM 33 C LIG 1 -4.342 2.764 0.200 0.00 0.00 +0.005 A BRANCH 31 34 ATOM 34 C LIG 1 -7.009 3.502 -2.307 0.00 0.00 +0.099 C ATOM 35 N LIG 1 -7.615 4.034 -3.141 0.00 0.00 -0.191 NA ENDBRANCH 31 34 ENDBRANCH 27 28 ENDBRANCH 26 27 ENDBRANCH 24 26 ENDBRANCH 1 24 TORSDOF 9