REMARK Name = BDB060444 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -1.005 2.133 -0.949 0.00 0.00 -0.281 N ATOM 2 H LIG 1 -1.640 2.744 -1.451 0.00 0.00 +0.155 HD ATOM 3 C LIG 1 0.301 2.537 -1.097 0.00 0.00 +0.248 C ATOM 4 O LIG 1 0.549 3.650 -1.559 0.00 0.00 -0.270 OA ENDROOT BRANCH 1 14 ATOM 5 C LIG 1 -6.635 2.683 -1.057 0.00 0.00 +0.129 C ATOM 6 N LIG 1 -5.672 1.737 -0.551 0.00 0.00 -0.302 N ATOM 7 H LIG 1 -5.143 2.030 0.259 0.00 0.00 +0.150 HD ATOM 8 C LIG 1 -5.967 0.395 -0.548 0.00 0.00 +0.306 C ATOM 9 N LIG 1 -5.027 -0.431 0.080 0.00 0.00 -0.255 N ATOM 10 C LIG 1 -3.649 -0.125 0.335 0.00 0.00 +0.043 A ATOM 11 C LIG 1 -2.949 -0.833 1.328 0.00 0.00 -0.026 A ATOM 12 C LIG 1 -1.623 -0.494 1.630 0.00 0.00 +0.007 A ATOM 13 C LIG 1 -0.959 0.497 0.907 0.00 0.00 +0.024 A ATOM 14 C LIG 1 -1.599 1.139 -0.149 0.00 0.00 +0.035 A ATOM 15 C LIG 1 -3.620 -1.940 2.092 0.00 0.00 +0.038 C ATOM 16 C LIG 1 -4.558 -2.669 1.150 0.00 0.00 +0.024 C ATOM 17 C LIG 1 -2.943 0.831 -0.414 0.00 0.00 +0.047 A ATOM 18 C LIG 1 -5.576 -1.691 0.588 0.00 0.00 +0.115 C ATOM 19 O LIG 1 -7.033 -0.027 -0.995 0.00 0.00 -0.252 OA ENDBRANCH 1 14 BRANCH 3 20 ATOM 20 C LIG 1 1.433 1.631 -0.807 0.00 0.00 +0.037 A ATOM 21 C LIG 1 1.442 0.313 -1.273 0.00 0.00 +0.013 A ATOM 22 C LIG 1 2.542 -0.511 -1.011 0.00 0.00 +0.009 A ATOM 23 C LIG 1 3.651 -0.021 -0.304 0.00 0.00 -0.015 A ATOM 24 C LIG 1 3.641 1.312 0.134 0.00 0.00 +0.009 A ATOM 25 C LIG 1 2.542 2.138 -0.124 0.00 0.00 +0.013 A BRANCH 23 26 ATOM 26 C LIG 1 4.782 -0.892 -0.037 0.00 0.00 +0.020 A ATOM 27 C LIG 1 6.096 -0.485 0.059 0.00 0.00 +0.126 A ATOM 28 N LIG 1 6.867 -1.611 0.300 0.00 0.00 -0.207 N ATOM 29 C LIG 1 8.264 -1.717 0.471 0.00 0.00 +0.244 C ATOM 30 O LIG 1 8.801 -2.799 0.684 0.00 0.00 -0.271 OA ATOM 31 C LIG 1 9.007 -0.418 0.371 0.00 0.00 +0.114 C ATOM 32 N LIG 1 6.087 -2.725 0.364 0.00 0.00 -0.172 NA ATOM 33 C LIG 1 4.847 -2.286 0.155 0.00 0.00 +0.143 A ENDBRANCH 23 26 ENDBRANCH 3 20 TORSDOF 3