REMARK Name = BDB014611 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.258 -1.813 1.736 0.00 0.00 +0.254 C ATOM 2 N LIG 1 -0.096 -1.801 0.369 0.00 0.00 -0.310 N ATOM 3 H LIG 1 -0.929 -1.610 -0.180 0.00 0.00 +0.149 HD ATOM 4 O LIG 1 0.690 -1.778 2.518 0.00 0.00 -0.272 OA ENDROOT BRANCH 1 6 ATOM 5 C LIG 1 -2.140 -3.357 2.228 0.00 0.00 +0.062 C ATOM 6 C LIG 1 -1.719 -1.892 2.206 0.00 0.00 +0.255 C BRANCH 6 7 ATOM 7 O LIG 1 -2.615 -1.219 1.320 0.00 0.00 -0.480 OA BRANCH 7 8 ATOM 8 C LIG 1 -2.684 0.151 1.347 0.00 0.00 +0.125 A ATOM 9 C LIG 1 -3.668 0.729 0.509 0.00 0.00 -0.001 A ATOM 10 C LIG 1 -3.787 2.129 0.489 0.00 0.00 +0.007 A ATOM 11 C LIG 1 -2.949 2.937 1.258 0.00 0.00 +0.001 A ATOM 12 C LIG 1 -1.981 2.358 2.068 0.00 0.00 +0.004 A ATOM 13 C LIG 1 -1.849 0.971 2.115 0.00 0.00 +0.046 A BRANCH 9 14 ATOM 14 C LIG 1 -4.591 -0.167 -0.323 0.00 0.00 +0.036 C ATOM 15 C LIG 1 -5.145 0.439 -1.638 0.00 0.00 +0.089 C ATOM 16 N LIG 1 -6.281 1.354 -1.469 0.00 0.00 -0.315 NA ATOM 17 H LIG 1 -6.624 1.638 -2.386 0.00 0.00 +0.122 HD ATOM 18 C LIG 1 -7.368 0.737 -0.713 0.00 0.00 +0.081 C ATOM 19 C LIG 1 -6.899 0.256 0.657 0.00 0.00 +0.016 C ATOM 20 C LIG 1 -5.743 -0.733 0.528 0.00 0.00 +0.011 C ENDBRANCH 9 14 ENDBRANCH 7 8 ENDBRANCH 6 7 ENDBRANCH 1 6 BRANCH 2 21 ATOM 21 C LIG 1 1.206 -1.655 -0.273 0.00 0.00 +0.136 C BRANCH 21 22 ATOM 22 C LIG 1 1.820 -0.255 -0.069 0.00 0.00 +0.145 C BRANCH 22 23 ATOM 23 O LIG 1 2.425 -0.119 1.223 0.00 0.00 -0.389 OA ATOM 24 H LIG 1 1.922 -0.686 1.846 0.00 0.00 +0.210 HD ENDBRANCH 22 23 BRANCH 22 25 ATOM 25 C LIG 1 2.848 0.101 -1.174 0.00 0.00 +0.117 C BRANCH 25 26 ATOM 26 N LIG 1 3.803 -0.974 -1.526 0.00 0.00 -0.295 NA ATOM 27 C LIG 1 4.838 -1.183 -0.492 0.00 0.00 +0.120 C ATOM 28 C LIG 1 5.939 -0.142 -0.463 0.00 0.00 -0.030 A ATOM 29 C LIG 1 6.235 0.630 -1.600 0.00 0.00 -0.042 A ATOM 30 C LIG 1 7.288 1.554 -1.560 0.00 0.00 +0.004 A ATOM 31 C LIG 1 8.056 1.697 -0.404 0.00 0.00 +0.000 A ATOM 32 C LIG 1 7.774 0.924 0.720 0.00 0.00 +0.000 A ATOM 33 C LIG 1 5.379 0.517 -2.835 0.00 0.00 +0.051 C ATOM 34 C LIG 1 6.723 0.007 0.691 0.00 0.00 +0.005 A ATOM 35 C LIG 1 4.470 -0.721 -2.816 0.00 0.00 +0.089 C ENDBRANCH 25 26 ENDBRANCH 22 25 ENDBRANCH 21 22 ENDBRANCH 2 21 TORSDOF 9