REMARK Name = BDB052395 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.600 -0.357 -1.120 0.00 0.00 +0.220 A ATOM 2 N LIG 1 -2.627 -0.161 -0.279 0.00 0.00 -0.212 NA ATOM 3 C LIG 1 -3.856 -0.252 -0.804 0.00 0.00 +0.097 A ATOM 4 C LIG 1 -4.989 -0.064 0.081 0.00 0.00 +0.091 A ATOM 5 N LIG 1 -5.047 0.438 1.346 0.00 0.00 -0.264 N ATOM 6 C LIG 1 -3.955 0.916 2.163 0.00 0.00 +0.173 C ATOM 7 N LIG 1 -6.305 0.489 1.833 0.00 0.00 -0.166 NA ATOM 8 C LIG 1 -7.087 -0.006 0.854 0.00 0.00 +0.151 A ATOM 9 C LIG 1 -6.293 -0.357 -0.273 0.00 0.00 +0.012 A ATOM 10 C LIG 1 -6.620 -0.926 -1.613 0.00 0.00 +0.044 C ATOM 11 C LIG 1 -5.540 -0.558 -2.665 0.00 0.00 +0.043 C ATOM 12 C LIG 1 -4.129 -0.544 -2.130 0.00 0.00 -0.001 A ATOM 13 C LIG 1 -3.015 -0.715 -2.908 0.00 0.00 +0.120 A ATOM 14 N LIG 1 -1.759 -0.636 -2.426 0.00 0.00 -0.222 NA ENDROOT BRANCH 8 15 ATOM 15 C LIG 1 -8.542 -0.134 1.031 0.00 0.00 +0.262 C ATOM 16 O LIG 1 -9.235 0.604 1.726 0.00 0.00 -0.269 OA ATOM 17 N LIG 1 -9.126 -1.195 0.384 0.00 0.00 -0.324 N ATOM 18 H LIG 1 -8.556 -1.997 0.158 0.00 0.00 +0.145 HD ATOM 19 H LIG 1 -10.077 -1.377 0.679 0.00 0.00 +0.145 HD ENDBRANCH 8 15 BRANCH 1 20 ATOM 20 N LIG 1 -0.341 -0.272 -0.537 0.00 0.00 -0.283 N ATOM 21 H LIG 1 -0.444 0.012 0.438 0.00 0.00 +0.155 HD BRANCH 20 27 ATOM 22 C LIG 1 2.076 -0.189 -0.135 0.00 0.00 +0.059 A ATOM 23 C LIG 1 3.423 -0.082 -0.569 0.00 0.00 +0.042 A ATOM 24 C LIG 1 3.639 -0.079 -1.955 0.00 0.00 +0.024 A ATOM 25 C LIG 1 2.576 -0.134 -2.858 0.00 0.00 +0.004 A ATOM 26 C LIG 1 1.260 -0.180 -2.400 0.00 0.00 +0.024 A ATOM 27 C LIG 1 0.973 -0.186 -1.033 0.00 0.00 +0.046 A BRANCH 23 28 ATOM 28 N LIG 1 4.486 0.050 0.333 0.00 0.00 -0.327 N ATOM 29 C LIG 1 5.838 -0.406 -0.041 0.00 0.00 +0.120 C ATOM 30 C LIG 1 6.802 -0.253 1.158 0.00 0.00 +0.103 C ATOM 31 N LIG 1 6.933 1.127 1.677 0.00 0.00 -0.302 NA ATOM 32 C LIG 1 8.217 1.724 1.324 0.00 0.00 +0.105 C ATOM 33 C LIG 1 5.816 1.986 1.227 0.00 0.00 +0.103 C ATOM 34 C LIG 1 4.449 1.264 1.192 0.00 0.00 +0.120 C ENDBRANCH 23 28 BRANCH 22 36 ATOM 35 C LIG 1 2.458 -1.516 2.035 0.00 0.00 +0.092 C ATOM 36 C LIG 1 1.774 -0.385 1.308 0.00 0.00 +0.164 C ATOM 37 O LIG 1 0.928 0.324 1.853 0.00 0.00 -0.292 OA ENDBRANCH 22 36 ENDBRANCH 20 27 ENDBRANCH 1 20 TORSDOF 5