REMARK Name = BDB028007 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 O LIG 1 0.914 -0.570 -0.864 0.00 0.00 -0.480 OA ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -0.291 -0.142 -0.383 0.00 0.00 +0.122 A ATOM 3 C LIG 1 -1.398 -0.639 -1.078 0.00 0.00 +0.054 A ATOM 4 C LIG 1 -2.709 -0.302 -0.705 0.00 0.00 -0.014 A ATOM 5 C LIG 1 -2.911 0.553 0.400 0.00 0.00 -0.018 A ATOM 6 C LIG 1 -4.220 0.893 0.777 0.00 0.00 +0.008 A ATOM 7 C LIG 1 -5.317 0.394 0.072 0.00 0.00 +0.001 A ATOM 8 C LIG 1 -5.118 -0.449 -1.018 0.00 0.00 +0.001 A ATOM 9 C LIG 1 -1.795 1.043 1.096 0.00 0.00 +0.012 A ATOM 10 C LIG 1 -3.822 -0.795 -1.404 0.00 0.00 +0.008 A ATOM 11 C LIG 1 -0.495 0.697 0.709 0.00 0.00 +0.046 A ENDBRANCH 1 2 BRANCH 1 18 ATOM 12 O LIG 1 6.178 -0.129 0.353 0.00 0.00 -0.275 OA ATOM 13 C LIG 1 4.969 -0.081 0.149 0.00 0.00 +0.219 C ATOM 14 N LIG 1 4.468 0.064 -1.120 0.00 0.00 -0.253 N ATOM 15 H LIG 1 5.149 0.054 -1.867 0.00 0.00 +0.158 HD ATOM 16 C LIG 1 3.150 0.023 -1.517 0.00 0.00 +0.260 C ATOM 17 O LIG 1 2.874 0.003 -2.715 0.00 0.00 -0.271 OA ATOM 18 C LIG 1 2.107 0.049 -0.391 0.00 0.00 +0.259 C ATOM 19 C LIG 1 2.650 -0.732 0.803 0.00 0.00 +0.063 C ATOM 20 C LIG 1 3.959 -0.121 1.269 0.00 0.00 +0.100 C ENDBRANCH 1 18 TORSDOF 2