REMARK Name = BDB022851 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.395 -2.817 -0.121 0.00 0.00 +0.028 C ATOM 2 C LIG 1 -1.182 -2.052 -0.632 0.00 0.00 +0.078 C ATOM 3 N LIG 1 -1.296 -0.605 -0.929 0.00 0.00 -0.292 N ATOM 4 C LIG 1 -1.865 0.405 -0.154 0.00 0.00 +0.220 C ATOM 5 O LIG 1 -1.421 1.558 -0.193 0.00 0.00 -0.275 OA ATOM 6 C LIG 1 -0.188 -0.166 -1.797 0.00 0.00 +0.163 C ATOM 7 C LIG 1 1.165 -0.540 -1.217 0.00 0.00 +0.067 A ATOM 8 C LIG 1 1.264 -1.561 -0.282 0.00 0.00 -0.005 A ATOM 9 C LIG 1 2.539 -1.827 0.160 0.00 0.00 +0.120 A ATOM 10 N LIG 1 3.633 -1.182 -0.285 0.00 0.00 -0.223 NA ATOM 11 C LIG 1 3.445 -0.231 -1.207 0.00 0.00 +0.216 A ATOM 12 N LIG 1 2.248 0.113 -1.695 0.00 0.00 -0.218 NA ATOM 13 C LIG 1 0.062 -2.291 0.251 0.00 0.00 +0.060 C ENDROOT BRANCH 4 14 ATOM 14 C LIG 1 -3.054 0.114 0.754 0.00 0.00 +0.085 C ATOM 15 C LIG 1 -4.088 1.277 0.695 0.00 0.00 +0.045 C ATOM 16 C LIG 1 -4.880 1.415 2.024 0.00 0.00 +0.093 C ATOM 17 N LIG 1 -5.017 0.122 2.709 0.00 0.00 -0.305 NA ATOM 18 C LIG 1 -5.951 0.207 3.830 0.00 0.00 +0.104 C ATOM 19 C LIG 1 -3.718 -0.406 3.143 0.00 0.00 +0.085 C ATOM 20 C LIG 1 -2.566 -0.056 2.195 0.00 0.00 +0.029 C BRANCH 15 21 ATOM 21 C LIG 1 -4.979 1.119 -0.535 0.00 0.00 -0.042 A ATOM 22 C LIG 1 -6.061 0.226 -0.559 0.00 0.00 +0.004 A ATOM 23 C LIG 1 -6.843 0.085 -1.707 0.00 0.00 +0.000 A ATOM 24 C LIG 1 -6.549 0.827 -2.849 0.00 0.00 +0.000 A ATOM 25 C LIG 1 -5.471 1.709 -2.844 0.00 0.00 +0.000 A ATOM 26 C LIG 1 -4.689 1.852 -1.697 0.00 0.00 +0.004 A ENDBRANCH 15 21 ENDBRANCH 4 14 BRANCH 11 27 ATOM 27 N LIG 1 4.519 0.480 -1.725 0.00 0.00 -0.309 N ATOM 28 H LIG 1 4.090 1.298 -2.149 0.00 0.00 +0.149 HD BRANCH 27 29 ATOM 29 C LIG 1 5.601 0.756 -0.782 0.00 0.00 +0.091 C ATOM 30 C LIG 1 6.624 -0.392 -0.753 0.00 0.00 +0.129 C ATOM 31 N LIG 1 7.854 -0.088 -0.018 0.00 0.00 -0.303 N ATOM 32 C LIG 1 8.741 -1.211 0.232 0.00 0.00 +0.132 C ATOM 33 C LIG 1 8.412 1.183 -0.032 0.00 0.00 +0.215 C ATOM 34 O LIG 1 9.593 1.403 0.238 0.00 0.00 -0.276 OA ATOM 35 C LIG 1 7.462 2.338 -0.276 0.00 0.00 +0.098 C ATOM 36 C LIG 1 6.338 2.015 -1.242 0.00 0.00 +0.033 C ENDBRANCH 27 29 ENDBRANCH 11 27 TORSDOF 4