REMARK Name = BDB064475 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.136 -0.410 -0.115 0.00 0.00 +0.279 C ATOM 2 C LIG 1 1.092 1.144 -0.115 0.00 0.00 +0.260 C ATOM 3 O LIG 1 0.298 1.812 -0.784 0.00 0.00 -0.271 OA ATOM 4 N LIG 1 1.958 1.796 0.731 0.00 0.00 -0.282 N ATOM 5 H LIG 1 1.714 2.769 0.871 0.00 0.00 +0.155 HD ATOM 6 C LIG 1 2.942 1.207 1.538 0.00 0.00 +0.043 A ATOM 7 C LIG 1 3.608 0.010 1.228 0.00 0.00 +0.022 A ATOM 8 C LIG 1 4.507 -0.545 2.155 0.00 0.00 +0.012 A ATOM 9 C LIG 1 4.790 0.118 3.349 0.00 0.00 +0.001 A ATOM 10 C LIG 1 4.187 1.342 3.621 0.00 0.00 +0.002 A ATOM 11 C LIG 1 3.483 -0.644 -0.113 0.00 0.00 +0.077 C ATOM 12 C LIG 1 3.272 1.887 2.717 0.00 0.00 +0.024 A ATOM 13 N LIG 1 2.373 -0.843 -0.743 0.00 0.00 -0.251 NA ENDROOT BRANCH 11 14 ATOM 14 C LIG 1 4.731 -1.094 -0.806 0.00 0.00 +0.004 A ATOM 15 C LIG 1 4.702 -2.273 -1.549 0.00 0.00 +0.030 A ATOM 16 C LIG 1 5.864 -2.666 -2.187 0.00 0.00 +0.111 A ATOM 17 N LIG 1 7.019 -1.968 -2.135 0.00 0.00 -0.263 NA ATOM 18 C LIG 1 7.010 -0.817 -1.429 0.00 0.00 +0.111 A ATOM 19 C LIG 1 5.902 -0.337 -0.755 0.00 0.00 +0.030 A ENDBRANCH 11 14 BRANCH 1 22 ATOM 20 O LIG 1 -1.488 -0.853 0.750 0.00 0.00 -0.270 OA ATOM 21 C LIG 1 -1.200 -0.998 -0.432 0.00 0.00 +0.246 C ATOM 22 N LIG 1 0.076 -0.931 -0.934 0.00 0.00 -0.282 N ATOM 23 H LIG 1 0.201 -0.804 -1.928 0.00 0.00 +0.151 HD BRANCH 21 24 ATOM 24 C LIG 1 -2.250 -1.225 -1.451 0.00 0.00 +0.041 A ATOM 25 C LIG 1 -3.291 -0.300 -1.649 0.00 0.00 -0.021 A ATOM 26 C LIG 1 -4.262 -0.596 -2.623 0.00 0.00 +0.005 A ATOM 27 C LIG 1 -4.196 -1.772 -3.373 0.00 0.00 +0.000 A ATOM 28 C LIG 1 -3.155 -2.675 -3.169 0.00 0.00 +0.001 A ATOM 29 C LIG 1 -2.181 -2.404 -2.208 0.00 0.00 +0.013 A BRANCH 25 30 ATOM 30 C LIG 1 -3.376 1.014 -0.897 0.00 0.00 +0.120 C BRANCH 30 31 ATOM 31 N LIG 1 -4.628 1.168 -0.132 0.00 0.00 -0.294 NA ATOM 32 C LIG 1 -4.686 0.256 1.036 0.00 0.00 +0.113 C ATOM 33 C LIG 1 -4.192 0.903 2.339 0.00 0.00 +0.175 C ATOM 34 O LIG 1 -4.962 2.056 2.720 0.00 0.00 -0.377 OA ATOM 35 C LIG 1 -5.587 2.704 1.603 0.00 0.00 +0.175 C ATOM 36 C LIG 1 -4.762 2.575 0.315 0.00 0.00 +0.113 C ENDBRANCH 30 31 ENDBRANCH 25 30 ENDBRANCH 21 24 ENDBRANCH 1 22 TORSDOF 5