REMARK Name = BDB039346 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.468 -2.232 4.572 0.00 0.00 +0.150 C ATOM 2 N LIG 1 -1.612 -2.194 3.694 0.00 0.00 -0.335 N ATOM 3 C LIG 1 -1.587 -1.700 2.414 0.00 0.00 +0.141 A ATOM 4 C LIG 1 -2.870 -1.818 1.887 0.00 0.00 +0.023 A ATOM 5 C LIG 1 -3.083 -1.365 0.570 0.00 0.00 -0.021 A ATOM 6 C LIG 1 -1.960 -0.824 -0.087 0.00 0.00 +0.034 A ATOM 7 C LIG 1 -0.717 -0.743 0.549 0.00 0.00 +0.074 A ATOM 8 C LIG 1 -3.674 -2.410 2.902 0.00 0.00 +0.029 A ATOM 9 N LIG 1 -0.498 -1.192 1.807 0.00 0.00 -0.229 NA ATOM 10 C LIG 1 -2.873 -2.631 4.003 0.00 0.00 +0.088 A ENDROOT BRANCH 7 11 ATOM 11 C LIG 1 0.469 -0.161 -0.121 0.00 0.00 +0.001 A ATOM 12 C LIG 1 1.754 -0.697 0.120 0.00 0.00 +0.016 A ATOM 13 C LIG 1 2.857 -0.146 -0.513 0.00 0.00 -0.017 A ATOM 14 C LIG 1 4.298 -0.519 -0.412 0.00 0.00 +0.144 C ATOM 15 N LIG 1 4.926 0.381 -1.373 0.00 0.00 -0.282 N ATOM 16 C LIG 1 4.025 1.301 -1.890 0.00 0.00 +0.248 C ATOM 17 O LIG 1 4.254 2.237 -2.632 0.00 0.00 -0.270 OA ATOM 18 C LIG 1 2.702 0.933 -1.376 0.00 0.00 +0.042 A ATOM 19 C LIG 1 1.474 1.505 -1.637 0.00 0.00 +0.014 A ATOM 20 C LIG 1 0.358 0.950 -1.001 0.00 0.00 +0.011 A BRANCH 15 21 ATOM 21 C LIG 1 6.367 0.571 -1.474 0.00 0.00 +0.163 C ATOM 22 C LIG 1 6.957 1.254 -0.228 0.00 0.00 +0.240 C ATOM 23 O LIG 1 6.291 1.783 0.659 0.00 0.00 -0.273 OA ATOM 24 N LIG 1 8.331 1.236 -0.145 0.00 0.00 -0.255 N ATOM 25 H LIG 1 8.709 1.672 0.686 0.00 0.00 +0.158 HD ATOM 26 C LIG 1 9.155 0.306 -0.727 0.00 0.00 +0.219 C ATOM 27 O LIG 1 10.294 0.119 -0.308 0.00 0.00 -0.275 OA ATOM 28 C LIG 1 8.593 -0.450 -1.908 0.00 0.00 +0.098 C ATOM 29 C LIG 1 7.111 -0.738 -1.720 0.00 0.00 +0.041 C ENDBRANCH 15 21 ENDBRANCH 7 11 BRANCH 5 30 ATOM 30 C LIG 1 -4.413 -1.429 -0.144 0.00 0.00 +0.120 C BRANCH 30 31 ATOM 31 N LIG 1 -4.890 -0.106 -0.561 0.00 0.00 -0.297 NA ATOM 32 C LIG 1 -5.265 0.754 0.572 0.00 0.00 +0.091 C ATOM 33 C LIG 1 -6.080 1.856 -0.090 0.00 0.00 +0.035 C ATOM 34 C LIG 1 -6.627 1.237 -1.373 0.00 0.00 +0.035 C ATOM 35 C LIG 1 -6.075 2.119 -2.481 0.00 0.00 +0.165 C ATOM 36 O LIG 1 -5.771 3.373 -1.861 0.00 0.00 -0.379 OA ATOM 37 C LIG 1 -5.260 3.045 -0.565 0.00 0.00 +0.165 C ATOM 38 C LIG 1 -6.102 -0.191 -1.385 0.00 0.00 +0.091 C ENDBRANCH 30 31 ENDBRANCH 5 30 TORSDOF 4