REMARK Name = BDB015952 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.840 -2.023 -0.733 0.00 0.00 +0.162 A ATOM 2 N LIG 1 0.675 -1.383 -0.489 0.00 0.00 -0.212 NA ATOM 3 C LIG 1 -0.409 -2.115 -0.162 0.00 0.00 +0.132 A ATOM 4 C LIG 1 -0.323 -3.494 0.018 0.00 0.00 +0.060 A ATOM 5 C LIG 1 0.912 -4.053 -0.257 0.00 0.00 +0.126 A ATOM 6 N LIG 1 2.001 -3.352 -0.636 0.00 0.00 -0.235 NA ENDROOT BRANCH 1 9 ATOM 7 C LIG 1 4.019 1.005 -1.541 0.00 0.00 -0.014 A ATOM 8 C LIG 1 2.919 0.201 -1.200 0.00 0.00 +0.020 A ATOM 9 C LIG 1 3.006 -1.204 -1.119 0.00 0.00 +0.020 A ATOM 10 C LIG 1 4.252 -1.784 -1.417 0.00 0.00 +0.011 A ATOM 11 C LIG 1 5.354 -1.001 -1.774 0.00 0.00 +0.001 A ATOM 12 C LIG 1 5.237 0.388 -1.834 0.00 0.00 +0.008 A BRANCH 7 17 ATOM 13 C LIG 1 2.549 5.648 -0.594 0.00 0.00 +0.172 C ATOM 14 N LIG 1 3.228 4.500 -1.141 0.00 0.00 -0.274 N ATOM 15 N LIG 1 4.173 4.672 -2.084 0.00 0.00 -0.179 NA ATOM 16 C LIG 1 4.579 3.426 -2.348 0.00 0.00 +0.142 A ATOM 17 C LIG 1 3.893 2.452 -1.585 0.00 0.00 +0.020 A ATOM 18 C LIG 1 3.027 3.193 -0.806 0.00 0.00 +0.116 A ENDBRANCH 7 17 ENDBRANCH 1 9 BRANCH 4 19 ATOM 19 C LIG 1 -1.420 -4.344 0.465 0.00 0.00 +0.097 A ATOM 20 N LIG 1 -1.581 -5.586 -0.023 0.00 0.00 -0.171 NA ATOM 21 N LIG 1 -2.661 -6.067 0.616 0.00 0.00 -0.274 N ATOM 22 C LIG 1 -3.121 -7.404 0.327 0.00 0.00 +0.172 C ATOM 23 C LIG 1 -3.203 -5.188 1.502 0.00 0.00 +0.108 A ATOM 24 C LIG 1 -2.418 -4.062 1.436 0.00 0.00 +0.049 A ENDBRANCH 4 19 BRANCH 3 25 ATOM 25 N LIG 1 -1.625 -1.433 0.039 0.00 0.00 -0.326 N ATOM 26 H LIG 1 -2.351 -1.961 -0.446 0.00 0.00 +0.148 HD BRANCH 25 27 ATOM 27 C LIG 1 -1.698 -0.007 -0.340 0.00 0.00 +0.138 C BRANCH 27 28 ATOM 28 C LIG 1 -1.263 0.979 0.806 0.00 0.00 +0.089 C ATOM 29 C LIG 1 -1.692 2.465 0.500 0.00 0.00 +0.008 C ATOM 30 C LIG 1 -0.999 3.466 1.463 0.00 0.00 +0.015 C ATOM 31 C LIG 1 -1.291 2.893 -0.929 0.00 0.00 +0.015 C ATOM 32 C LIG 1 -3.229 2.600 0.649 0.00 0.00 +0.090 C ATOM 33 N LIG 1 -3.718 2.143 1.949 0.00 0.00 -0.315 NA ATOM 34 H LIG 1 -4.731 2.250 1.995 0.00 0.00 +0.122 HD ATOM 35 C LIG 1 -3.354 0.757 2.230 0.00 0.00 +0.084 C ATOM 36 C LIG 1 -1.845 0.551 2.169 0.00 0.00 +0.052 C BRANCH 28 37 ATOM 37 O LIG 1 0.171 0.952 0.923 0.00 0.00 -0.386 OA ATOM 38 H LIG 1 0.446 0.030 0.733 0.00 0.00 +0.210 HD ENDBRANCH 28 37 ENDBRANCH 27 28 ENDBRANCH 25 27 ENDBRANCH 3 25 TORSDOF 7