REMARK Name = BDB049799 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.277 -2.326 1.904 0.00 0.00 +0.282 C ATOM 2 N LIG 1 -0.103 -1.885 1.316 0.00 0.00 -0.294 N ATOM 3 C LIG 1 0.088 -0.684 0.509 0.00 0.00 +0.126 C ATOM 4 C LIG 1 1.498 -0.844 -0.096 0.00 0.00 +0.073 C ATOM 5 C LIG 1 2.216 -1.647 0.994 0.00 0.00 +0.039 C ATOM 6 C LIG 1 1.139 -2.616 1.461 0.00 0.00 +0.110 C ATOM 7 O LIG 1 -1.304 -3.391 2.526 0.00 0.00 -0.267 OA ENDROOT BRANCH 1 13 ATOM 8 C LIG 1 -4.611 1.166 0.854 0.00 0.00 +0.064 A ATOM 9 C LIG 1 -3.923 0.023 1.302 0.00 0.00 +0.102 A ATOM 10 C LIG 1 -4.630 -0.953 2.003 0.00 0.00 +0.067 A ATOM 11 N LIG 1 -3.695 -1.914 2.288 0.00 0.00 -0.334 N ATOM 12 H LIG 1 -3.843 -2.782 2.785 0.00 0.00 +0.168 HD ATOM 13 C LIG 1 -2.482 -1.518 1.779 0.00 0.00 +0.195 A ATOM 14 C LIG 1 -5.994 -0.861 2.290 0.00 0.00 +0.028 A ATOM 15 C LIG 1 -6.662 0.281 1.836 0.00 0.00 +0.003 A ATOM 16 N LIG 1 -2.598 -0.338 1.200 0.00 0.00 -0.223 NA ATOM 17 C LIG 1 -5.988 1.280 1.128 0.00 0.00 +0.015 A BRANCH 8 21 ATOM 18 N LIG 1 -4.265 3.507 0.358 0.00 0.00 -0.325 N ATOM 19 H LIG 1 -4.750 3.748 1.210 0.00 0.00 +0.145 HD ATOM 20 H LIG 1 -3.677 4.217 -0.060 0.00 0.00 +0.145 HD ATOM 21 C LIG 1 -3.900 2.213 0.090 0.00 0.00 +0.244 C ATOM 22 O LIG 1 -3.034 1.969 -0.738 0.00 0.00 -0.270 OA ENDBRANCH 8 21 ENDBRANCH 1 13 BRANCH 4 23 ATOM 23 N LIG 1 2.130 0.435 -0.417 0.00 0.00 -0.309 NA ATOM 24 H LIG 1 1.492 0.997 -0.985 0.00 0.00 +0.123 HD BRANCH 23 25 ATOM 25 C LIG 1 3.435 0.334 -1.083 0.00 0.00 +0.056 C ATOM 26 C LIG 1 4.085 1.725 -1.074 0.00 0.00 +0.034 C ATOM 27 C LIG 1 5.421 1.707 -1.814 0.00 0.00 +0.082 C ATOM 28 N LIG 1 5.276 1.228 -3.190 0.00 0.00 -0.316 NA ATOM 29 H LIG 1 4.662 1.865 -3.700 0.00 0.00 +0.122 HD ATOM 30 C LIG 1 4.698 -0.116 -3.220 0.00 0.00 +0.082 C ATOM 31 C LIG 1 3.335 -0.173 -2.529 0.00 0.00 +0.034 C ENDBRANCH 23 25 ENDBRANCH 4 23 TORSDOF 4