REMARK Name = BDB015913 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.718 2.110 0.006 0.00 0.00 +0.162 A ATOM 2 N LIG 1 0.424 1.739 -0.033 0.00 0.00 -0.212 NA ATOM 3 C LIG 1 -0.522 2.700 0.005 0.00 0.00 +0.132 A ATOM 4 C LIG 1 -0.179 4.050 0.076 0.00 0.00 +0.060 A ATOM 5 C LIG 1 1.177 4.321 0.091 0.00 0.00 +0.126 A ATOM 6 N LIG 1 2.145 3.383 0.048 0.00 0.00 -0.235 NA ENDROOT BRANCH 1 9 ATOM 7 C LIG 1 3.330 -1.305 0.451 0.00 0.00 -0.014 A ATOM 8 C LIG 1 2.397 -0.258 0.462 0.00 0.00 +0.020 A ATOM 9 C LIG 1 2.726 1.036 0.013 0.00 0.00 +0.020 A ATOM 10 C LIG 1 4.044 1.252 -0.425 0.00 0.00 +0.011 A ATOM 11 C LIG 1 4.984 0.216 -0.440 0.00 0.00 +0.001 A ATOM 12 C LIG 1 4.625 -1.061 -0.009 0.00 0.00 +0.008 A BRANCH 7 17 ATOM 13 C LIG 1 2.303 -6.144 0.549 0.00 0.00 +0.172 C ATOM 14 N LIG 1 2.476 -4.761 0.923 0.00 0.00 -0.274 N ATOM 15 N LIG 1 1.996 -4.328 2.104 0.00 0.00 -0.179 NA ATOM 16 C LIG 1 2.252 -3.017 2.082 0.00 0.00 +0.142 A ATOM 17 C LIG 1 2.933 -2.617 0.910 0.00 0.00 +0.020 A ATOM 18 C LIG 1 3.078 -3.781 0.186 0.00 0.00 +0.116 A ENDBRANCH 7 17 ENDBRANCH 1 9 BRANCH 4 19 ATOM 19 C LIG 1 -1.153 5.133 0.159 0.00 0.00 +0.097 A ATOM 20 N LIG 1 -2.284 5.015 0.879 0.00 0.00 -0.171 NA ATOM 21 N LIG 1 -2.908 6.196 0.725 0.00 0.00 -0.274 N ATOM 22 C LIG 1 -4.182 6.414 1.366 0.00 0.00 +0.172 C ATOM 23 C LIG 1 -2.221 7.077 -0.052 0.00 0.00 +0.108 A ATOM 24 C LIG 1 -1.076 6.422 -0.437 0.00 0.00 +0.049 A ENDBRANCH 4 19 BRANCH 3 25 ATOM 25 N LIG 1 -1.874 2.325 -0.128 0.00 0.00 -0.328 N ATOM 26 H LIG 1 -2.421 2.910 0.512 0.00 0.00 +0.147 HD BRANCH 25 27 ATOM 27 C LIG 1 -2.191 0.901 -0.036 0.00 0.00 +0.104 C BRANCH 27 28 ATOM 28 C LIG 1 -2.125 0.262 -1.425 0.00 0.00 +0.034 C BRANCH 28 29 ATOM 29 C LIG 1 -2.591 -1.200 -1.439 0.00 0.00 +0.086 C BRANCH 29 30 ATOM 30 N LIG 1 -1.814 -2.095 -0.574 0.00 0.00 -0.298 NA ATOM 31 C LIG 1 -2.513 -3.388 -0.388 0.00 0.00 +0.112 C ATOM 32 C LIG 1 -1.544 -4.519 -0.002 0.00 0.00 +0.175 C ATOM 33 O LIG 1 -0.600 -4.809 -1.045 0.00 0.00 -0.377 OA ATOM 34 C LIG 1 -0.256 -3.648 -1.817 0.00 0.00 +0.175 C ATOM 35 C LIG 1 -0.434 -2.327 -1.052 0.00 0.00 +0.112 C ENDBRANCH 29 30 ENDBRANCH 28 29 ENDBRANCH 27 28 ENDBRANCH 25 27 ENDBRANCH 3 25 TORSDOF 8