REMARK Name = BDB024460 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.757 -1.080 -0.699 0.00 0.00 +0.244 C ATOM 2 N LIG 1 0.126 -0.399 0.110 0.00 0.00 -0.309 N ATOM 3 H LIG 1 -0.236 0.157 0.877 0.00 0.00 +0.149 HD ATOM 4 O LIG 1 -0.431 -2.041 -1.387 0.00 0.00 -0.270 OA ENDROOT BRANCH 1 9 ATOM 5 C LIG 1 -4.493 -1.103 -1.057 0.00 0.00 +0.124 A ATOM 6 N LIG 1 -4.818 0.158 -0.692 0.00 0.00 -0.218 NA ATOM 7 C LIG 1 -3.853 1.028 -0.335 0.00 0.00 +0.122 A ATOM 8 C LIG 1 -2.517 0.678 -0.309 0.00 0.00 +0.056 A ATOM 9 C LIG 1 -2.169 -0.615 -0.681 0.00 0.00 +0.043 A ATOM 10 C LIG 1 -3.164 -1.507 -1.079 0.00 0.00 +0.056 A BRANCH 5 15 ATOM 11 C LIG 1 -8.597 -3.441 -0.026 0.00 0.00 +0.105 C ATOM 12 N LIG 1 -7.981 -3.633 -1.337 0.00 0.00 -0.302 NA ATOM 13 C LIG 1 -7.888 -2.360 -2.088 0.00 0.00 +0.103 C ATOM 14 C LIG 1 -6.835 -1.355 -1.563 0.00 0.00 +0.122 C ATOM 15 N LIG 1 -5.507 -1.995 -1.457 0.00 0.00 -0.313 N ATOM 16 C LIG 1 -5.529 -3.256 -0.686 0.00 0.00 +0.122 C ATOM 17 C LIG 1 -6.624 -4.212 -1.221 0.00 0.00 +0.103 C ENDBRANCH 5 15 BRANCH 7 18 ATOM 18 N LIG 1 -4.301 2.302 0.033 0.00 0.00 -0.326 N ATOM 19 H LIG 1 -5.289 2.341 -0.208 0.00 0.00 +0.148 HD BRANCH 18 20 ATOM 20 C LIG 1 -3.572 3.525 -0.115 0.00 0.00 +0.072 C ATOM 21 C LIG 1 -2.722 3.874 1.130 0.00 0.00 +0.022 C ATOM 22 C LIG 1 -3.922 4.676 1.669 0.00 0.00 +0.004 C ATOM 23 C LIG 1 -4.438 4.764 0.220 0.00 0.00 +0.022 C ENDBRANCH 18 20 ENDBRANCH 7 18 ENDBRANCH 1 9 BRANCH 2 24 ATOM 24 C LIG 1 1.482 -0.884 0.309 0.00 0.00 +0.137 C BRANCH 24 25 ATOM 25 C LIG 1 2.364 0.210 0.919 0.00 0.00 +0.145 C BRANCH 25 26 ATOM 26 O LIG 1 1.774 0.653 2.155 0.00 0.00 -0.389 OA ATOM 27 H LIG 1 2.526 1.021 2.664 0.00 0.00 +0.210 HD ENDBRANCH 25 26 BRANCH 25 28 ATOM 28 C LIG 1 3.789 -0.310 1.196 0.00 0.00 +0.117 C BRANCH 28 29 ATOM 29 N LIG 1 4.585 0.660 1.990 0.00 0.00 -0.294 NA ATOM 30 C LIG 1 5.834 0.023 2.487 0.00 0.00 +0.138 C ATOM 31 C LIG 1 6.875 -0.034 1.423 0.00 0.00 +0.034 A ATOM 32 N LIG 1 7.976 -0.841 1.428 0.00 0.00 -0.357 N ATOM 33 H LIG 1 8.217 -1.510 2.146 0.00 0.00 +0.166 HD ATOM 34 C LIG 1 8.728 -0.609 0.294 0.00 0.00 +0.047 A ATOM 35 C LIG 1 8.076 0.382 -0.446 0.00 0.00 +0.003 A ATOM 36 C LIG 1 8.645 0.800 -1.665 0.00 0.00 +0.010 A ATOM 37 C LIG 1 9.842 0.219 -2.099 0.00 0.00 +0.001 A ATOM 38 C LIG 1 10.471 -0.765 -1.339 0.00 0.00 +0.002 A ATOM 39 C LIG 1 9.926 -1.199 -0.127 0.00 0.00 +0.026 A ATOM 40 C LIG 1 6.911 0.738 0.280 0.00 0.00 -0.017 A ATOM 41 C LIG 1 5.825 1.712 -0.019 0.00 0.00 +0.053 C ATOM 42 C LIG 1 4.920 1.900 1.229 0.00 0.00 +0.089 C ENDBRANCH 28 29 ENDBRANCH 25 28 ENDBRANCH 24 25 ENDBRANCH 2 24 TORSDOF 9