REMARK Name = BDB007317 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -3.598 3.252 0.915 0.00 0.00 +0.037 A ATOM 2 C LIG 1 -3.131 1.963 0.935 0.00 0.00 +0.056 A ATOM 3 N LIG 1 -3.754 0.823 0.577 0.00 0.00 -0.316 N ATOM 4 H LIG 1 -4.718 0.826 0.260 0.00 0.00 +0.152 HD ATOM 5 C LIG 1 -3.163 -0.427 0.765 0.00 0.00 +0.016 C ATOM 6 C LIG 1 -4.004 -1.631 0.412 0.00 0.00 +0.058 C ATOM 7 C LIG 1 -3.169 -2.886 0.083 0.00 0.00 -0.023 C ATOM 8 C LIG 1 -2.458 -2.733 -1.278 0.00 0.00 +0.011 C ATOM 9 C LIG 1 -4.106 -4.105 -0.004 0.00 0.00 +0.011 C ATOM 10 C LIG 1 -2.142 -3.119 1.202 0.00 0.00 +0.086 C ATOM 11 C LIG 1 -1.337 -1.883 1.552 0.00 0.00 +0.162 C ATOM 12 O LIG 1 -0.273 -1.987 2.164 0.00 0.00 -0.292 OA ATOM 13 C LIG 1 -1.898 -0.542 1.238 0.00 0.00 +0.024 C ATOM 14 C LIG 1 -1.020 0.664 1.543 0.00 0.00 +0.087 C ATOM 15 C LIG 1 -1.802 1.949 1.420 0.00 0.00 +0.003 A ATOM 16 C LIG 1 -1.486 3.258 1.721 0.00 0.00 +0.089 A ATOM 17 N LIG 1 -2.571 4.038 1.399 0.00 0.00 -0.363 N ATOM 18 H LIG 1 -2.609 5.044 1.502 0.00 0.00 +0.165 HD ENDROOT BRANCH 14 19 ATOM 19 C LIG 1 0.149 0.801 0.570 0.00 0.00 -0.032 A ATOM 20 C LIG 1 1.465 0.668 1.048 0.00 0.00 +0.051 A ATOM 21 C LIG 1 2.560 0.755 0.181 0.00 0.00 +0.132 A ATOM 22 C LIG 1 2.353 1.007 -1.174 0.00 0.00 +0.046 A ATOM 23 C LIG 1 1.054 1.128 -1.669 0.00 0.00 +0.004 A ATOM 24 C LIG 1 -0.038 1.018 -0.807 0.00 0.00 +0.005 A BRANCH 21 25 ATOM 25 O LIG 1 3.798 0.650 0.768 0.00 0.00 -0.425 OA BRANCH 25 26 ATOM 26 C LIG 1 4.847 0.108 0.155 0.00 0.00 +0.302 A ATOM 27 N LIG 1 6.076 0.125 0.753 0.00 0.00 -0.308 N ATOM 28 H LIG 1 6.274 0.535 1.652 0.00 0.00 +0.170 HD ATOM 29 C LIG 1 6.965 -0.509 -0.075 0.00 0.00 +0.069 A ATOM 30 C LIG 1 6.191 -0.897 -1.164 0.00 0.00 +0.093 A ATOM 31 C LIG 1 6.798 -1.590 -2.221 0.00 0.00 +0.030 A ATOM 32 C LIG 1 8.170 -1.867 -2.144 0.00 0.00 +0.002 A ATOM 33 C LIG 1 8.920 -1.463 -1.036 0.00 0.00 +0.002 A ATOM 34 C LIG 1 8.332 -0.772 0.030 0.00 0.00 +0.028 A ATOM 35 N LIG 1 4.883 -0.511 -1.004 0.00 0.00 -0.195 NA ENDBRANCH 25 26 ENDBRANCH 21 25 ENDBRANCH 14 19 BRANCH 1 37 ATOM 36 C LIG 1 -4.934 4.111 -1.001 0.00 0.00 +0.010 C ATOM 37 C LIG 1 -4.903 3.833 0.494 0.00 0.00 +0.052 C ENDBRANCH 1 37 TORSDOF 4