REMARK Name = BDB059158 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.168 -1.336 -0.448 0.00 0.00 +0.220 A ATOM 2 N LIG 1 -0.731 -0.180 -0.070 0.00 0.00 -0.219 NA ATOM 3 C LIG 1 -2.078 -0.117 -0.001 0.00 0.00 +0.050 A ATOM 4 C LIG 1 -2.661 1.192 0.465 0.00 0.00 +0.056 C ATOM 5 C LIG 1 -4.145 1.337 0.130 0.00 0.00 +0.006 C ATOM 6 C LIG 1 -4.906 0.075 0.528 0.00 0.00 +0.005 C ATOM 7 C LIG 1 -4.384 -1.136 -0.246 0.00 0.00 +0.038 C ATOM 8 C LIG 1 -2.888 -1.200 -0.284 0.00 0.00 -0.008 A ATOM 9 C LIG 1 -2.220 -2.339 -0.673 0.00 0.00 +0.119 A ATOM 10 N LIG 1 -0.880 -2.432 -0.758 0.00 0.00 -0.222 NA ENDROOT BRANCH 1 11 ATOM 11 N LIG 1 1.211 -1.491 -0.551 0.00 0.00 -0.284 N ATOM 12 H LIG 1 1.409 -2.436 -0.842 0.00 0.00 +0.155 HD BRANCH 11 17 ATOM 13 C LIG 1 5.833 1.795 0.306 0.00 0.00 +0.044 C ATOM 14 C LIG 1 4.618 0.939 0.113 0.00 0.00 -0.050 A ATOM 15 C LIG 1 4.739 -0.379 -0.331 0.00 0.00 +0.005 A ATOM 16 C LIG 1 3.598 -1.162 -0.539 0.00 0.00 +0.023 A ATOM 17 C LIG 1 2.307 -0.654 -0.320 0.00 0.00 +0.034 A ATOM 18 C LIG 1 2.202 0.672 0.108 0.00 0.00 +0.023 A ATOM 19 C LIG 1 3.340 1.462 0.319 0.00 0.00 +0.005 A ENDBRANCH 11 17 ENDBRANCH 1 11 TORSDOF 2