REMARK Name = BDB047382 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.705 0.203 -1.377 0.00 0.00 +0.056 A ATOM 2 C LIG 1 -3.182 0.398 -0.060 0.00 0.00 +0.051 A ATOM 3 C LIG 1 -2.240 0.464 0.972 0.00 0.00 +0.027 A ATOM 4 C LIG 1 -0.870 0.308 0.717 0.00 0.00 +0.025 A ATOM 5 C LIG 1 -0.392 0.087 -0.575 0.00 0.00 +0.034 A ATOM 6 C LIG 1 -1.336 0.041 -1.617 0.00 0.00 +0.048 A ENDROOT BRANCH 1 9 ATOM 7 C LIG 1 -4.802 0.201 -4.520 0.00 0.00 +0.109 C ATOM 8 C LIG 1 -3.506 0.078 -3.758 0.00 0.00 +0.214 C ATOM 9 N LIG 1 -3.679 0.228 -2.401 0.00 0.00 -0.284 N ATOM 10 H LIG 1 -4.608 0.427 -2.039 0.00 0.00 +0.155 HD ATOM 11 O LIG 1 -2.448 -0.112 -4.348 0.00 0.00 -0.276 OA ENDBRANCH 1 9 BRANCH 2 12 ATOM 12 N LIG 1 -4.574 0.505 0.169 0.00 0.00 -0.330 N ATOM 13 C LIG 1 -4.978 1.515 1.149 0.00 0.00 +0.129 C BRANCH 12 14 ATOM 14 C LIG 1 -5.260 -0.808 0.281 0.00 0.00 +0.119 C BRANCH 14 15 ATOM 15 C LIG 1 -4.846 -1.652 1.504 0.00 0.00 +0.096 C BRANCH 15 16 ATOM 16 N LIG 1 -5.698 -2.834 1.673 0.00 0.00 -0.328 NA ATOM 17 H LIG 1 -6.641 -2.544 1.929 0.00 0.00 +0.118 HD ATOM 18 H LIG 1 -5.349 -3.383 2.458 0.00 0.00 +0.118 HD ENDBRANCH 15 16 ENDBRANCH 14 15 ENDBRANCH 12 14 ENDBRANCH 2 12 BRANCH 5 19 ATOM 19 N LIG 1 0.968 -0.088 -0.910 0.00 0.00 -0.299 N ATOM 20 H LIG 1 1.105 -0.220 -1.905 0.00 0.00 +0.154 HD BRANCH 19 21 ATOM 21 C LIG 1 2.095 -0.130 -0.111 0.00 0.00 +0.129 A ATOM 22 N LIG 1 2.049 -0.011 1.189 0.00 0.00 -0.212 NA ATOM 23 C LIG 1 3.209 -0.072 1.901 0.00 0.00 +0.177 A ATOM 24 N LIG 1 4.463 -0.246 1.292 0.00 0.00 -0.199 N ATOM 25 N LIG 1 5.452 -0.289 2.241 0.00 0.00 -0.170 NA ATOM 26 C LIG 1 4.824 -0.130 3.404 0.00 0.00 +0.156 A ATOM 27 C LIG 1 4.559 -0.366 -0.123 0.00 0.00 +0.126 A ATOM 28 C LIG 1 3.444 0.008 3.255 0.00 0.00 +0.116 A ATOM 29 C LIG 1 3.410 -0.325 -0.826 0.00 0.00 +0.087 A BRANCH 27 30 ATOM 30 N LIG 1 5.784 -0.544 -0.779 0.00 0.00 -0.326 N ATOM 31 H LIG 1 5.721 -0.510 -1.793 0.00 0.00 +0.148 HD BRANCH 30 32 ATOM 32 C LIG 1 7.044 -0.099 -0.188 0.00 0.00 +0.072 C ATOM 33 C LIG 1 7.385 1.361 -0.081 0.00 0.00 +0.024 C ATOM 34 C LIG 1 8.122 0.491 -1.056 0.00 0.00 +0.024 C ENDBRANCH 30 32 ENDBRANCH 27 30 BRANCH 28 35 ATOM 35 C LIG 1 2.471 0.189 4.275 0.00 0.00 +0.104 C ATOM 36 N LIG 1 1.703 0.337 5.134 0.00 0.00 -0.191 NA ENDBRANCH 28 35 ENDBRANCH 19 21 ENDBRANCH 5 19 TORSDOF 10