REMARK Name = BDB028142 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.853 0.286 0.335 0.00 0.00 -0.014 A ATOM 2 C LIG 1 0.376 -0.667 -0.572 0.00 0.00 +0.022 A ATOM 3 C LIG 1 -0.999 -0.931 -0.668 0.00 0.00 +0.050 A ATOM 4 C LIG 1 -1.915 -0.249 0.129 0.00 0.00 +0.012 A ATOM 5 C LIG 1 -3.352 -0.590 -0.043 0.00 0.00 +0.083 A ATOM 6 N LIG 1 -3.764 -1.496 -0.882 0.00 0.00 -0.174 NA ATOM 7 N LIG 1 -2.843 -2.151 -1.637 0.00 0.00 -0.242 N ATOM 8 H LIG 1 -3.202 -2.837 -2.293 0.00 0.00 +0.192 HD ATOM 9 C LIG 1 -1.447 0.704 1.038 0.00 0.00 +0.011 A ATOM 10 C LIG 1 -1.486 -1.944 -1.618 0.00 0.00 +0.272 A ATOM 11 O LIG 1 -0.714 -2.567 -2.337 0.00 0.00 -0.266 OA ATOM 12 C LIG 1 -0.074 0.968 1.137 0.00 0.00 +0.009 A ENDROOT BRANCH 1 17 ATOM 13 C LIG 1 5.802 -0.137 0.207 0.00 0.00 +0.172 C ATOM 14 N LIG 1 4.462 0.363 0.391 0.00 0.00 -0.274 N ATOM 15 N LIG 1 4.278 1.603 0.878 0.00 0.00 -0.179 NA ATOM 16 C LIG 1 2.950 1.731 0.910 0.00 0.00 +0.142 A ATOM 17 C LIG 1 2.273 0.576 0.451 0.00 0.00 +0.020 A ATOM 18 C LIG 1 3.295 -0.294 0.126 0.00 0.00 +0.116 A ENDBRANCH 1 17 BRANCH 5 19 ATOM 19 C LIG 1 -4.410 0.136 0.786 0.00 0.00 +0.136 C BRANCH 19 20 ATOM 20 N LIG 1 -4.707 1.438 0.188 0.00 0.00 -0.325 NA ATOM 21 H LIG 1 -3.909 2.064 0.253 0.00 0.00 +0.119 HD ATOM 22 H LIG 1 -5.472 1.878 0.696 0.00 0.00 +0.119 HD ENDBRANCH 19 20 ENDBRANCH 5 19 TORSDOF 3