REMARK Name = BDB001375 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 O LIG 1 -4.288 0.141 -0.912 0.00 0.00 -0.270 OA ATOM 2 C LIG 1 -3.314 -0.585 -0.837 0.00 0.00 +0.250 C ATOM 3 N LIG 1 -2.202 -0.452 -0.025 0.00 0.00 -0.257 N ATOM 4 C LIG 1 -1.283 -1.599 -0.126 0.00 0.00 +0.192 C ATOM 5 C LIG 1 -1.933 -2.387 -1.258 0.00 0.00 +0.019 A ATOM 6 C LIG 1 -1.506 -3.535 -1.916 0.00 0.00 +0.009 A ATOM 7 C LIG 1 -2.313 -4.070 -2.928 0.00 0.00 +0.000 A ATOM 8 C LIG 1 -3.527 -3.457 -3.281 0.00 0.00 +0.001 A ATOM 9 C LIG 1 -3.948 -2.297 -2.632 0.00 0.00 +0.013 A ATOM 10 C LIG 1 -3.131 -1.791 -1.637 0.00 0.00 +0.045 A ENDROOT BRANCH 4 11 ATOM 11 C LIG 1 -1.232 -2.491 1.132 0.00 0.00 +0.007 A ATOM 12 C LIG 1 -2.251 -2.459 2.106 0.00 0.00 +0.008 A ATOM 13 C LIG 1 -2.214 -3.298 3.224 0.00 0.00 +0.000 A ATOM 14 C LIG 1 -1.171 -4.204 3.384 0.00 0.00 +0.000 A ATOM 15 C LIG 1 -0.172 -4.283 2.420 0.00 0.00 +0.000 A ATOM 16 C LIG 1 -0.209 -3.445 1.302 0.00 0.00 +0.008 A ENDBRANCH 4 11 BRANCH 3 17 ATOM 17 C LIG 1 -2.061 0.659 0.902 0.00 0.00 +0.146 C BRANCH 17 18 ATOM 18 C LIG 1 -1.329 1.864 0.351 0.00 0.00 -0.030 A ATOM 19 C LIG 1 -0.383 2.529 1.149 0.00 0.00 +0.005 A ATOM 20 C LIG 1 0.291 3.655 0.671 0.00 0.00 +0.000 A ATOM 21 C LIG 1 0.015 4.145 -0.602 0.00 0.00 +0.000 A ATOM 22 C LIG 1 -0.942 3.515 -1.394 0.00 0.00 +0.000 A ATOM 23 C LIG 1 -1.614 2.387 -0.918 0.00 0.00 +0.005 A ENDBRANCH 17 18 ENDBRANCH 3 17 BRANCH 4 24 ATOM 24 O LIG 1 -0.038 -1.163 -0.676 0.00 0.00 -0.344 OA BRANCH 24 25 ATOM 25 C LIG 1 0.955 -0.693 0.226 0.00 0.00 +0.204 C BRANCH 25 26 ATOM 26 C LIG 1 1.881 0.275 -0.506 0.00 0.00 +0.257 C BRANCH 26 27 ATOM 27 O LIG 1 2.824 0.786 0.434 0.00 0.00 -0.486 OA BRANCH 27 28 ATOM 28 C LIG 1 3.547 1.886 0.057 0.00 0.00 +0.162 A ATOM 29 C LIG 1 4.227 2.564 1.078 0.00 0.00 +0.158 A ATOM 30 C LIG 1 4.997 3.695 0.803 0.00 0.00 +0.049 A ATOM 31 C LIG 1 5.097 4.157 -0.508 0.00 0.00 +0.004 A ATOM 32 C LIG 1 4.433 3.487 -1.534 0.00 0.00 +0.004 A ATOM 33 C LIG 1 3.663 2.354 -1.255 0.00 0.00 +0.049 A BRANCH 29 34 ATOM 34 O LIG 1 4.122 2.111 2.367 0.00 0.00 -0.503 OA ATOM 35 H LIG 1 4.694 2.649 2.936 0.00 0.00 +0.292 HD ENDBRANCH 29 34 ENDBRANCH 27 28 ENDBRANCH 26 27 ENDBRANCH 25 26 ENDBRANCH 24 25 ENDBRANCH 4 24 TORSDOF 9