REMARK Name = BDB061352 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 5.175 -0.102 -0.400 0.00 0.00 +0.035 A ATOM 2 C LIG 1 4.238 0.236 -1.379 0.00 0.00 +0.027 A ATOM 3 C LIG 1 2.896 -0.024 -1.140 0.00 0.00 -0.038 A ATOM 4 C LIG 1 1.746 0.208 -2.072 0.00 0.00 +0.040 C ATOM 5 C LIG 1 0.546 0.120 -1.116 0.00 0.00 +0.067 C ATOM 6 C LIG 1 0.979 -0.812 0.026 0.00 0.00 +0.216 C ATOM 7 C LIG 1 0.246 -0.542 1.312 0.00 0.00 +0.273 C ATOM 8 O LIG 1 0.374 0.426 2.047 0.00 0.00 -0.270 OA ATOM 9 N LIG 1 -0.562 -1.608 1.525 0.00 0.00 -0.195 N ATOM 10 C LIG 1 -0.240 -2.603 0.667 0.00 0.00 +0.411 C ATOM 11 O LIG 1 -0.638 -3.755 0.712 0.00 0.00 -0.226 OA ATOM 12 O LIG 1 0.650 -2.166 -0.269 0.00 0.00 -0.429 OA ATOM 13 C LIG 1 2.467 -0.619 0.051 0.00 0.00 +0.008 A ATOM 14 C LIG 1 3.382 -0.969 1.028 0.00 0.00 +0.010 A ATOM 15 C LIG 1 4.737 -0.701 0.799 0.00 0.00 +0.024 A ENDROOT BRANCH 1 20 ATOM 16 C LIG 1 9.456 1.281 -2.368 0.00 0.00 +0.129 C ATOM 17 N LIG 1 8.577 0.763 -1.348 0.00 0.00 -0.302 N ATOM 18 H LIG 1 8.764 1.071 -0.406 0.00 0.00 +0.150 HD ATOM 19 C LIG 1 7.236 0.582 -1.642 0.00 0.00 +0.304 C ATOM 20 N LIG 1 6.559 0.130 -0.530 0.00 0.00 -0.269 N ATOM 21 H LIG 1 7.145 -0.199 0.221 0.00 0.00 +0.156 HD ATOM 22 O LIG 1 6.772 0.797 -2.753 0.00 0.00 -0.253 OA ENDBRANCH 1 20 BRANCH 9 23 ATOM 23 C LIG 1 -1.388 -1.804 2.698 0.00 0.00 +0.215 C BRANCH 23 24 ATOM 24 C LIG 1 -2.866 -1.894 2.308 0.00 0.00 +0.234 C ATOM 25 N LIG 1 -3.497 -0.789 1.716 0.00 0.00 -0.292 N ATOM 26 C LIG 1 -4.830 -1.044 1.128 0.00 0.00 +0.080 C ATOM 27 C LIG 1 -5.848 0.086 1.355 0.00 0.00 +0.029 C ATOM 28 C LIG 1 -5.686 1.297 0.445 0.00 0.00 +0.057 C ATOM 29 C LIG 1 -4.336 1.938 0.291 0.00 0.00 +0.046 A ATOM 30 C LIG 1 -3.202 1.623 1.040 0.00 0.00 -0.009 A ATOM 31 C LIG 1 -2.044 2.384 0.795 0.00 0.00 +0.008 A ATOM 32 C LIG 1 -2.027 3.371 -0.182 0.00 0.00 +0.020 A ATOM 33 C LIG 1 -3.186 3.592 -0.888 0.00 0.00 +0.111 A ATOM 34 N LIG 1 -4.325 2.908 -0.668 0.00 0.00 -0.260 NA ATOM 35 C LIG 1 -3.164 0.582 2.126 0.00 0.00 +0.145 C ATOM 36 O LIG 1 -3.463 -2.955 2.515 0.00 0.00 -0.274 OA BRANCH 26 37 ATOM 37 C LIG 1 -4.766 -1.446 -0.337 0.00 0.00 +0.010 C ATOM 38 C LIG 1 -3.597 -1.127 -1.243 0.00 0.00 +0.006 C ATOM 39 C LIG 1 -3.865 -2.550 -0.843 0.00 0.00 +0.006 C ENDBRANCH 26 37 ENDBRANCH 23 24 ENDBRANCH 9 23 TORSDOF 4