REMARK Name = BDB026434 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.173 1.847 0.666 0.00 0.00 +0.142 C ENDROOT BRANCH 1 4 ATOM 2 O LIG 1 -1.986 0.006 2.087 0.00 0.00 -0.252 OA ATOM 3 C LIG 1 -1.955 0.061 0.868 0.00 0.00 +0.305 C ATOM 4 N LIG 1 -1.150 0.913 0.123 0.00 0.00 -0.281 N ATOM 5 C LIG 1 -1.256 0.624 -1.291 0.00 0.00 +0.128 C ATOM 6 C LIG 1 -2.495 -0.260 -1.381 0.00 0.00 +0.128 C ATOM 7 N LIG 1 -2.677 -0.723 -0.022 0.00 0.00 -0.280 N BRANCH 7 8 ATOM 8 C LIG 1 -3.757 -1.602 0.374 0.00 0.00 +0.144 C BRANCH 8 9 ATOM 9 C LIG 1 -5.113 -0.952 0.251 0.00 0.00 -0.030 A ATOM 10 C LIG 1 -5.990 -1.312 -0.782 0.00 0.00 +0.005 A ATOM 11 C LIG 1 -7.239 -0.697 -0.897 0.00 0.00 +0.000 A ATOM 12 C LIG 1 -7.621 0.284 0.016 0.00 0.00 +0.000 A ATOM 13 C LIG 1 -6.757 0.652 1.045 0.00 0.00 +0.000 A ATOM 14 C LIG 1 -5.509 0.039 1.162 0.00 0.00 +0.005 A ENDBRANCH 8 9 ENDBRANCH 7 8 ENDBRANCH 1 4 BRANCH 1 15 ATOM 15 C LIG 1 0.978 1.220 1.481 0.00 0.00 +0.146 C BRANCH 15 16 ATOM 16 O LIG 1 0.528 0.784 2.772 0.00 0.00 -0.389 OA ATOM 17 H LIG 1 -0.376 0.413 2.668 0.00 0.00 +0.210 HD ENDBRANCH 15 16 BRANCH 15 18 ATOM 18 C LIG 1 1.713 0.057 0.779 0.00 0.00 +0.117 C BRANCH 18 19 ATOM 19 N LIG 1 2.278 0.378 -0.548 0.00 0.00 -0.295 NA ATOM 20 C LIG 1 3.452 1.270 -0.475 0.00 0.00 +0.120 C ATOM 21 C LIG 1 4.742 0.607 -0.038 0.00 0.00 -0.030 A ATOM 22 C LIG 1 4.924 -0.781 -0.171 0.00 0.00 -0.042 A ATOM 23 C LIG 1 6.142 -1.363 0.206 0.00 0.00 +0.004 A ATOM 24 C LIG 1 7.181 -0.570 0.691 0.00 0.00 +0.000 A ATOM 25 C LIG 1 7.011 0.807 0.808 0.00 0.00 +0.000 A ATOM 26 C LIG 1 3.791 -1.651 -0.653 0.00 0.00 +0.051 C ATOM 27 C LIG 1 5.799 1.394 0.442 0.00 0.00 +0.005 A ATOM 28 C LIG 1 2.652 -0.841 -1.289 0.00 0.00 +0.089 C ENDBRANCH 18 19 ENDBRANCH 15 18 ENDBRANCH 1 15 TORSDOF 7