REMARK Name = BDB011894 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.753 0.324 -0.274 0.00 0.00 +0.237 C ATOM 2 N LIG 1 -0.476 1.492 0.396 0.00 0.00 -0.280 N ATOM 3 C LIG 1 0.734 2.289 0.085 0.00 0.00 +0.193 C ATOM 4 C LIG 1 0.398 3.648 0.643 0.00 0.00 -0.014 A ATOM 5 C LIG 1 -0.858 3.624 1.259 0.00 0.00 -0.025 A ATOM 6 C LIG 1 -1.391 4.760 1.845 0.00 0.00 +0.005 A ATOM 7 C LIG 1 -0.644 5.939 1.805 0.00 0.00 +0.000 A ATOM 8 C LIG 1 0.615 5.967 1.184 0.00 0.00 +0.000 A ATOM 9 C LIG 1 1.144 4.816 0.595 0.00 0.00 +0.006 A ATOM 10 C LIG 1 -1.464 2.265 1.154 0.00 0.00 +0.144 C ATOM 11 O LIG 1 0.018 -0.110 -1.140 0.00 0.00 -0.274 OA ENDROOT BRANCH 3 12 ATOM 12 C LIG 1 2.007 1.655 0.718 0.00 0.00 +0.242 C ATOM 13 N LIG 1 2.337 0.439 0.131 0.00 0.00 -0.284 N ATOM 14 H LIG 1 1.689 0.105 -0.585 0.00 0.00 +0.155 HD ATOM 15 O LIG 1 2.646 2.200 1.615 0.00 0.00 -0.273 OA BRANCH 13 16 ATOM 16 C LIG 1 3.405 -0.423 0.447 0.00 0.00 +0.034 A ATOM 17 C LIG 1 3.475 -1.631 -0.260 0.00 0.00 +0.031 A ATOM 18 C LIG 1 4.498 -2.564 -0.015 0.00 0.00 -0.016 A ATOM 19 C LIG 1 5.476 -2.275 0.960 0.00 0.00 -0.018 A ATOM 20 C LIG 1 6.501 -3.203 1.206 0.00 0.00 +0.008 A ATOM 21 C LIG 1 6.559 -4.404 0.497 0.00 0.00 +0.001 A ATOM 22 C LIG 1 5.596 -4.691 -0.465 0.00 0.00 +0.001 A ATOM 23 C LIG 1 5.402 -1.063 1.660 0.00 0.00 +0.010 A ATOM 24 C LIG 1 4.571 -3.778 -0.720 0.00 0.00 +0.008 A ATOM 25 C LIG 1 4.375 -0.146 1.406 0.00 0.00 +0.024 A ENDBRANCH 13 16 ENDBRANCH 3 12 BRANCH 1 26 ATOM 26 C LIG 1 -2.006 -0.488 0.133 0.00 0.00 +0.162 C BRANCH 26 28 ATOM 27 C LIG 1 -3.539 -0.050 -1.744 0.00 0.00 +0.230 C ATOM 28 N LIG 1 -2.627 -0.885 -1.131 0.00 0.00 -0.302 N ATOM 29 H LIG 1 -2.057 -1.464 -1.739 0.00 0.00 +0.150 HD ATOM 30 O LIG 1 -3.986 0.958 -1.198 0.00 0.00 -0.274 OA BRANCH 27 31 ATOM 31 C LIG 1 -3.929 -0.479 -3.175 0.00 0.00 +0.137 C ATOM 32 C LIG 1 -2.859 0.015 -4.146 0.00 0.00 +0.034 C BRANCH 31 34 ATOM 33 C LIG 1 -6.341 -0.587 -2.909 0.00 0.00 +0.101 C ATOM 34 N LIG 1 -5.232 0.098 -3.563 0.00 0.00 -0.309 NA ATOM 35 H LIG 1 -5.236 1.076 -3.256 0.00 0.00 +0.122 HD ENDBRANCH 31 34 ENDBRANCH 27 31 ENDBRANCH 26 28 BRANCH 26 36 ATOM 36 C LIG 1 -1.594 -1.727 0.962 0.00 0.00 +0.012 C ATOM 37 C LIG 1 -0.912 -1.333 2.277 0.00 0.00 +0.009 C ATOM 38 C LIG 1 -2.809 -2.609 1.276 0.00 0.00 +0.009 C ENDBRANCH 26 36 ENDBRANCH 1 26 TORSDOF 7