REMARK Name = BDB025316 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -4.133 1.306 -0.402 0.00 0.00 +0.044 C ATOM 2 C LIG 1 -2.647 1.448 -0.559 0.00 0.00 -0.038 A ATOM 3 C LIG 1 -1.718 0.442 -0.195 0.00 0.00 +0.030 A ATOM 4 C LIG 1 -1.796 -0.870 0.378 0.00 0.00 +0.009 A ATOM 5 C LIG 1 -0.490 -1.365 0.499 0.00 0.00 +0.052 A ATOM 6 N LIG 1 0.354 -0.390 0.001 0.00 0.00 -0.313 N ATOM 7 C LIG 1 -0.226 -2.635 1.041 0.00 0.00 +0.026 A ATOM 8 C LIG 1 -1.305 -3.416 1.463 0.00 0.00 +0.002 A ATOM 9 C LIG 1 -2.609 -2.950 1.351 0.00 0.00 +0.001 A ATOM 10 C LIG 1 -2.865 -1.685 0.814 0.00 0.00 +0.010 A ATOM 11 C LIG 1 -0.369 0.708 -0.399 0.00 0.00 +0.143 A ATOM 12 N LIG 1 0.177 1.837 -0.897 0.00 0.00 -0.237 NA ATOM 13 C LIG 1 -0.740 2.765 -1.235 0.00 0.00 +0.113 A ATOM 14 C LIG 1 -2.113 2.631 -1.093 0.00 0.00 +0.024 A ENDROOT BRANCH 6 15 ATOM 15 C LIG 1 1.812 -0.466 -0.061 0.00 0.00 +0.176 C ATOM 16 C LIG 1 2.334 -0.189 -1.467 0.00 0.00 +0.242 C ATOM 17 O LIG 1 1.865 -0.710 -2.479 0.00 0.00 -0.273 OA ATOM 18 N LIG 1 3.461 0.595 -1.562 0.00 0.00 -0.255 N ATOM 19 H LIG 1 3.792 0.758 -2.503 0.00 0.00 +0.158 HD ATOM 20 C LIG 1 4.377 0.830 -0.570 0.00 0.00 +0.219 C ATOM 21 O LIG 1 5.497 1.260 -0.827 0.00 0.00 -0.275 OA ATOM 22 C LIG 1 3.973 0.422 0.826 0.00 0.00 +0.099 C ATOM 23 C LIG 1 2.463 0.444 0.986 0.00 0.00 +0.044 C ENDBRANCH 6 15 TORSDOF 1