REMARK Name = BDB021329 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.186 -2.643 -1.912 0.00 0.00 +0.159 A ATOM 2 N LIG 1 0.018 -2.228 -1.398 0.00 0.00 -0.217 NA ATOM 3 C LIG 1 0.002 -0.911 -1.491 0.00 0.00 +0.151 A ATOM 4 N LIG 1 -1.208 -0.460 -1.985 0.00 0.00 -0.270 N ATOM 5 C LIG 1 -1.510 0.905 -2.128 0.00 0.00 +0.202 A ATOM 6 N LIG 1 -0.604 1.803 -1.854 0.00 0.00 -0.223 NA ATOM 7 C LIG 1 0.614 1.365 -1.377 0.00 0.00 +0.126 A ATOM 8 C LIG 1 0.981 0.080 -1.180 0.00 0.00 +0.043 A ATOM 9 C LIG 1 -1.956 -1.571 -2.298 0.00 0.00 +0.134 A ENDROOT BRANCH 8 10 ATOM 10 C LIG 1 2.333 -0.215 -0.644 0.00 0.00 -0.013 A ATOM 11 C LIG 1 2.487 -1.138 0.404 0.00 0.00 +0.013 A ATOM 12 C LIG 1 3.757 -1.451 0.911 0.00 0.00 -0.033 A ATOM 13 C LIG 1 3.911 -2.414 2.060 0.00 0.00 +0.054 C ATOM 14 C LIG 1 5.277 -3.090 2.006 0.00 0.00 +0.109 C ATOM 15 N LIG 1 6.338 -2.123 1.840 0.00 0.00 -0.311 N ATOM 16 H LIG 1 7.290 -2.374 2.078 0.00 0.00 +0.149 HD ATOM 17 C LIG 1 6.246 -1.109 0.914 0.00 0.00 +0.244 C ATOM 18 O LIG 1 7.236 -0.482 0.559 0.00 0.00 -0.270 OA ATOM 19 C LIG 1 4.889 -0.816 0.374 0.00 0.00 +0.040 A ATOM 20 C LIG 1 4.749 0.100 -0.672 0.00 0.00 +0.014 A ATOM 21 C LIG 1 3.481 0.390 -1.183 0.00 0.00 +0.009 A ENDBRANCH 8 10 BRANCH 1 23 ATOM 22 N LIG 1 -1.840 -5.146 -2.082 0.00 0.00 -0.189 NA ATOM 23 C LIG 1 -1.525 -4.030 -2.006 0.00 0.00 +0.121 C ENDBRANCH 1 23 BRANCH 5 24 ATOM 24 N LIG 1 -2.748 1.311 -2.576 0.00 0.00 -0.310 N ATOM 25 H LIG 1 -2.684 2.305 -2.800 0.00 0.00 +0.149 HD BRANCH 24 26 ATOM 26 C LIG 1 -3.943 1.111 -1.760 0.00 0.00 +0.143 C BRANCH 26 27 ATOM 27 C LIG 1 -3.947 2.006 -0.554 0.00 0.00 +0.012 A ATOM 28 C LIG 1 -3.570 1.576 0.715 0.00 0.00 +0.005 A ATOM 29 C LIG 1 -3.059 0.263 1.181 0.00 0.00 +0.080 C ATOM 30 C LIG 1 -3.174 0.470 2.691 0.00 0.00 +0.234 C ATOM 31 O LIG 1 -3.156 1.887 2.971 0.00 0.00 -0.491 OA ATOM 32 C LIG 1 -3.562 2.456 1.792 0.00 0.00 +0.124 A ATOM 33 C LIG 1 -3.915 3.785 1.666 0.00 0.00 +0.049 A ATOM 34 C LIG 1 -4.299 4.237 0.405 0.00 0.00 +0.042 A ATOM 35 C LIG 1 -4.311 3.354 -0.682 0.00 0.00 +0.129 A ATOM 36 F LIG 1 -4.673 3.824 -1.885 0.00 0.00 -0.205 F ENDBRANCH 26 27 ENDBRANCH 24 26 ENDBRANCH 5 24 TORSDOF 5