REMARK Name = BDB032118 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.634 -1.831 0.784 0.00 0.00 +0.022 A ATOM 2 C LIG 1 -1.155 -2.619 1.801 0.00 0.00 +0.123 A ATOM 3 N LIG 1 -2.217 -3.453 1.663 0.00 0.00 -0.239 NA ATOM 4 C LIG 1 -2.829 -3.502 0.461 0.00 0.00 +0.125 A ATOM 5 C LIG 1 -2.355 -2.787 -0.628 0.00 0.00 +0.044 A ATOM 6 C LIG 1 -1.257 -1.938 -0.460 0.00 0.00 +0.015 A ENDROOT BRANCH 1 10 ATOM 7 N LIG 1 2.122 0.227 1.775 0.00 0.00 -0.248 N ATOM 8 N LIG 1 2.089 0.463 0.454 0.00 0.00 -0.065 NA ATOM 9 N LIG 1 1.092 -0.250 -0.052 0.00 0.00 -0.129 NA ATOM 10 C LIG 1 0.498 -0.949 0.971 0.00 0.00 +0.114 A ATOM 11 C LIG 1 1.148 -0.655 2.149 0.00 0.00 +0.139 A BRANCH 7 17 ATOM 12 C LIG 1 6.834 3.763 -0.028 0.00 0.00 +0.239 C ATOM 13 N LIG 1 6.034 2.894 0.662 0.00 0.00 -0.297 N ATOM 14 C LIG 1 5.804 2.887 2.106 0.00 0.00 +0.116 C ATOM 15 C LIG 1 4.599 2.042 1.806 0.00 0.00 +0.006 C ATOM 16 C LIG 1 3.286 2.365 2.475 0.00 0.00 +0.037 C ATOM 17 C LIG 1 3.088 0.843 2.709 0.00 0.00 +0.110 C ATOM 18 C LIG 1 4.566 0.611 2.295 0.00 0.00 +0.037 C ATOM 19 C LIG 1 4.746 2.289 0.326 0.00 0.00 +0.116 C ATOM 20 O LIG 1 7.662 4.488 0.514 0.00 0.00 -0.271 OA BRANCH 12 22 ATOM 21 C LIG 1 7.289 4.629 -2.282 0.00 0.00 +0.013 C ATOM 22 C LIG 1 6.640 3.754 -1.503 0.00 0.00 +0.060 C ENDBRANCH 12 22 ENDBRANCH 7 17 ENDBRANCH 1 10 BRANCH 4 23 ATOM 23 N LIG 1 -3.891 -4.401 0.419 0.00 0.00 -0.265 N ATOM 24 H LIG 1 -3.895 -5.030 1.210 0.00 0.00 +0.157 HD ATOM 25 C LIG 1 -4.888 -4.643 -0.493 0.00 0.00 +0.268 C ATOM 26 O LIG 1 -5.479 -5.726 -0.464 0.00 0.00 -0.268 OA BRANCH 25 27 ATOM 27 C LIG 1 -5.349 -3.611 -1.468 0.00 0.00 +0.126 A ATOM 28 N LIG 1 -5.213 -2.308 -1.116 0.00 0.00 -0.241 NA ATOM 29 C LIG 1 -5.676 -1.372 -1.974 0.00 0.00 +0.089 A ATOM 30 C LIG 1 -6.288 -1.699 -3.179 0.00 0.00 +0.030 A ATOM 31 C LIG 1 -6.435 -3.044 -3.515 0.00 0.00 +0.004 A ATOM 32 C LIG 1 -5.963 -4.020 -2.644 0.00 0.00 +0.033 A BRANCH 29 33 ATOM 33 C LIG 1 -5.455 -0.006 -1.518 0.00 0.00 +0.084 A ATOM 34 N LIG 1 -5.855 1.123 -2.187 0.00 0.00 -0.275 N ATOM 35 H LIG 1 -6.352 1.188 -3.067 0.00 0.00 +0.189 HD ATOM 36 N LIG 1 -5.534 2.275 -1.572 0.00 0.00 -0.182 NA ATOM 37 C LIG 1 -4.913 1.873 -0.463 0.00 0.00 +0.135 A ATOM 38 C LIG 1 -4.835 0.474 -0.377 0.00 0.00 +0.050 A ENDBRANCH 29 33 ENDBRANCH 25 27 ENDBRANCH 4 23 TORSDOF 6