REMARK Name = BDB035212 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 6.553 -0.223 -2.867 0.00 0.00 +0.086 C ATOM 2 C LIG 1 5.392 0.383 -2.113 0.00 0.00 +0.111 A ATOM 3 N LIG 1 5.108 -0.044 -0.831 0.00 0.00 -0.284 N ATOM 4 C LIG 1 3.954 0.409 -0.190 0.00 0.00 +0.264 A ATOM 5 O LIG 1 3.523 -0.113 0.838 0.00 0.00 -0.267 OA ATOM 6 C LIG 1 3.209 1.525 -0.814 0.00 0.00 +0.086 A ATOM 7 C LIG 1 3.644 1.911 -2.083 0.00 0.00 +0.080 A ATOM 8 C LIG 1 2.985 2.945 -2.747 0.00 0.00 +0.029 A ATOM 9 C LIG 1 1.914 3.598 -2.146 0.00 0.00 +0.004 A ATOM 10 C LIG 1 1.489 3.212 -0.873 0.00 0.00 +0.024 A ATOM 11 C LIG 1 2.104 2.154 -0.186 0.00 0.00 +0.042 A ATOM 12 N LIG 1 4.721 1.301 -2.729 0.00 0.00 -0.234 NA ENDROOT BRANCH 3 13 ATOM 13 C LIG 1 5.900 -1.079 -0.136 0.00 0.00 +0.178 C ATOM 14 C LIG 1 5.115 -2.386 -0.026 0.00 0.00 +0.242 C ATOM 15 O LIG 1 4.588 -2.919 -1.002 0.00 0.00 -0.273 OA ATOM 16 N LIG 1 5.029 -2.961 1.216 0.00 0.00 -0.255 N ATOM 17 H LIG 1 4.513 -3.829 1.257 0.00 0.00 +0.158 HD ATOM 18 C LIG 1 5.246 -2.368 2.432 0.00 0.00 +0.219 C ATOM 19 O LIG 1 4.944 -2.951 3.471 0.00 0.00 -0.275 OA ATOM 20 C LIG 1 5.815 -0.972 2.437 0.00 0.00 +0.099 C ATOM 21 C LIG 1 6.571 -0.629 1.166 0.00 0.00 +0.044 C ENDBRANCH 3 13 BRANCH 11 22 ATOM 22 N LIG 1 1.718 1.822 1.126 0.00 0.00 -0.343 N ATOM 23 H LIG 1 2.164 0.939 1.412 0.00 0.00 +0.146 HD BRANCH 22 24 ATOM 24 C LIG 1 0.308 1.849 1.512 0.00 0.00 +0.103 C BRANCH 24 25 ATOM 25 C LIG 1 -0.485 0.733 0.831 0.00 0.00 +0.034 C BRANCH 25 26 ATOM 26 C LIG 1 -1.947 0.754 1.282 0.00 0.00 +0.082 C BRANCH 26 27 ATOM 27 N LIG 1 -2.675 -0.338 0.641 0.00 0.00 -0.313 NA ATOM 28 H LIG 1 -2.607 -0.257 -0.372 0.00 0.00 +0.122 HD BRANCH 27 29 ATOM 29 C LIG 1 -4.076 -0.438 1.070 0.00 0.00 +0.060 C ATOM 30 C LIG 1 -4.666 -1.802 0.611 0.00 0.00 +0.007 C ATOM 31 C LIG 1 -6.071 -1.964 1.227 0.00 0.00 +0.008 C ATOM 32 C LIG 1 -6.996 -0.835 0.741 0.00 0.00 -0.010 C ATOM 33 C LIG 1 -7.103 -0.894 -0.792 0.00 0.00 +0.007 C ATOM 34 C LIG 1 -5.710 -0.730 -1.423 0.00 0.00 -0.010 C ATOM 35 C LIG 1 -5.123 0.628 -1.000 0.00 0.00 +0.008 C ATOM 36 C LIG 1 -6.399 0.521 1.152 0.00 0.00 +0.008 C ATOM 37 C LIG 1 -4.797 -1.863 -0.925 0.00 0.00 +0.008 C ATOM 38 C LIG 1 -4.994 0.696 0.536 0.00 0.00 +0.007 C ENDBRANCH 27 29 ENDBRANCH 26 27 ENDBRANCH 25 26 ENDBRANCH 24 25 ENDBRANCH 22 24 ENDBRANCH 11 22 TORSDOF 7