REMARK Name = BDB000055 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.380 0.165 -0.724 0.00 0.00 -0.313 N ATOM 2 H LIG 1 -0.138 -0.294 0.161 0.00 0.00 +0.152 HD ENDROOT BRANCH 1 4 ATOM 3 C LIG 1 -2.704 0.157 0.031 0.00 0.00 +0.005 A ATOM 4 C LIG 1 -1.651 0.781 -0.674 0.00 0.00 +0.041 A ATOM 5 C LIG 1 -1.925 1.982 -1.351 0.00 0.00 +0.047 A ATOM 6 C LIG 1 -3.197 2.576 -1.329 0.00 0.00 +0.041 A ATOM 7 N LIG 1 -3.479 3.791 -2.025 0.00 0.00 -0.274 N ATOM 8 C LIG 1 -4.666 4.498 -1.832 0.00 0.00 +0.220 C ATOM 9 C LIG 1 -5.544 4.026 -0.698 0.00 0.00 +0.101 C ATOM 10 C LIG 1 -5.612 2.517 -0.650 0.00 0.00 +0.046 C ATOM 11 O LIG 1 -4.971 5.507 -2.469 0.00 0.00 -0.275 OA ATOM 12 C LIG 1 -2.510 4.323 -2.972 0.00 0.00 +0.138 C ATOM 13 C LIG 1 -4.226 1.944 -0.618 0.00 0.00 -0.025 A ATOM 14 C LIG 1 -3.979 0.740 0.053 0.00 0.00 +0.015 A BRANCH 3 22 ATOM 15 C LIG 1 -1.381 -2.445 4.179 0.00 0.00 +0.049 C ATOM 16 C LIG 1 -1.854 -2.336 2.765 0.00 0.00 +0.015 A ATOM 17 C LIG 1 -2.100 -3.621 2.031 0.00 0.00 +0.254 A ATOM 18 O LIG 1 -1.911 -4.696 2.597 0.00 0.00 -0.267 OA ATOM 19 N LIG 1 -2.539 -3.497 0.713 0.00 0.00 -0.317 N ATOM 20 C LIG 1 -2.791 -4.698 -0.068 0.00 0.00 +0.152 C ATOM 21 C LIG 1 -2.725 -2.267 0.104 0.00 0.00 +0.097 A ATOM 22 C LIG 1 -2.506 -1.114 0.758 0.00 0.00 +0.001 A ATOM 23 C LIG 1 -2.060 -1.168 2.135 0.00 0.00 +0.018 A ENDBRANCH 3 22 ENDBRANCH 1 4 BRANCH 1 24 ATOM 24 C LIG 1 0.706 0.276 -1.601 0.00 0.00 +0.044 A ATOM 25 C LIG 1 1.998 0.003 -1.170 0.00 0.00 +0.071 A ATOM 26 C LIG 1 2.478 -0.430 0.141 0.00 0.00 +0.256 C ATOM 27 N LIG 1 3.834 -0.588 0.040 0.00 0.00 -0.222 N ATOM 28 C LIG 1 4.284 -0.230 -1.201 0.00 0.00 +0.255 C ATOM 29 O LIG 1 5.424 -0.172 -1.617 0.00 0.00 -0.270 OA ATOM 30 O LIG 1 1.756 -0.614 1.105 0.00 0.00 -0.269 OA ATOM 31 C LIG 1 3.105 0.118 -1.992 0.00 0.00 +0.051 A ATOM 32 C LIG 1 3.001 0.509 -3.310 0.00 0.00 +0.014 A ATOM 33 C LIG 1 1.718 0.774 -3.790 0.00 0.00 +0.003 A ATOM 34 C LIG 1 0.589 0.655 -2.947 0.00 0.00 +0.024 A BRANCH 27 35 ATOM 35 C LIG 1 4.681 -0.875 1.187 0.00 0.00 +0.171 C ATOM 36 C LIG 1 5.280 0.435 1.710 0.00 0.00 +0.240 C ATOM 37 O LIG 1 4.784 1.542 1.509 0.00 0.00 -0.273 OA ATOM 38 N LIG 1 6.401 0.305 2.499 0.00 0.00 -0.255 N ATOM 39 H LIG 1 6.793 1.166 2.856 0.00 0.00 +0.158 HD ATOM 40 C LIG 1 7.132 -0.832 2.744 0.00 0.00 +0.219 C ATOM 41 O LIG 1 8.155 -0.792 3.421 0.00 0.00 -0.275 OA ATOM 42 C LIG 1 6.577 -2.125 2.194 0.00 0.00 +0.098 C ATOM 43 C LIG 1 5.789 -1.888 0.914 0.00 0.00 +0.041 C ENDBRANCH 27 35 ENDBRANCH 1 24 TORSDOF 4