REMARK Name = BDB017360 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.725 -0.105 0.424 0.00 0.00 +0.034 A ATOM 2 C LIG 1 1.968 -0.601 -0.642 0.00 0.00 +0.025 A ATOM 3 C LIG 1 0.587 -0.790 -0.513 0.00 0.00 +0.025 A ATOM 4 C LIG 1 -0.066 -0.512 0.692 0.00 0.00 +0.031 A ATOM 5 C LIG 1 0.691 0.015 1.744 0.00 0.00 +0.025 A ATOM 6 C LIG 1 2.074 0.203 1.618 0.00 0.00 +0.025 A ENDROOT BRANCH 1 9 ATOM 7 O LIG 1 4.809 1.067 2.199 0.00 0.00 -0.270 OA ATOM 8 C LIG 1 5.036 0.581 1.098 0.00 0.00 +0.248 C ATOM 9 N LIG 1 4.112 0.051 0.216 0.00 0.00 -0.282 N ATOM 10 H LIG 1 4.440 -0.198 -0.708 0.00 0.00 +0.155 HD BRANCH 8 11 ATOM 11 C LIG 1 6.445 0.578 0.615 0.00 0.00 +0.040 A ATOM 12 C LIG 1 6.953 -0.465 -0.169 0.00 0.00 +0.054 A ATOM 13 C LIG 1 8.281 -0.420 -0.584 0.00 0.00 +0.159 A ATOM 14 F LIG 1 8.762 -1.419 -1.338 0.00 0.00 -0.202 F ATOM 15 C LIG 1 9.106 0.640 -0.222 0.00 0.00 +0.158 A ATOM 16 F LIG 1 10.381 0.671 -0.629 0.00 0.00 -0.202 F ATOM 17 C LIG 1 8.616 1.671 0.571 0.00 0.00 +0.042 A ATOM 18 C LIG 1 7.285 1.638 0.995 0.00 0.00 +0.016 A ENDBRANCH 8 11 ENDBRANCH 1 9 BRANCH 4 19 ATOM 19 N LIG 1 -1.467 -0.635 0.829 0.00 0.00 -0.314 N ATOM 20 H LIG 1 -1.753 -0.538 1.803 0.00 0.00 +0.152 HD BRANCH 19 21 ATOM 21 C LIG 1 -2.317 -1.581 0.192 0.00 0.00 +0.044 A ATOM 22 C LIG 1 -3.647 -1.263 -0.168 0.00 0.00 +0.042 A ATOM 23 C LIG 1 -4.427 -2.337 -0.626 0.00 0.00 +0.143 A ATOM 24 N LIG 1 -5.763 -2.142 -0.940 0.00 0.00 -0.307 N ATOM 25 H LIG 1 -6.286 -2.952 -1.234 0.00 0.00 +0.170 HD ATOM 26 C LIG 1 -6.417 -0.960 -0.823 0.00 0.00 +0.254 A ATOM 27 C LIG 1 -5.601 0.215 -0.400 0.00 0.00 +0.021 A ATOM 28 C LIG 1 -6.357 1.518 -0.342 0.00 0.00 +0.041 C ATOM 29 C LIG 1 -5.581 2.639 0.343 0.00 0.00 +0.005 C ATOM 30 C LIG 1 -4.138 2.648 -0.131 0.00 0.00 +0.005 C ATOM 31 C LIG 1 -3.451 1.316 0.186 0.00 0.00 +0.036 C ATOM 32 O LIG 1 -7.615 -0.861 -1.071 0.00 0.00 -0.268 OA ATOM 33 N LIG 1 -4.005 -3.612 -0.768 0.00 0.00 -0.237 NA ATOM 34 C LIG 1 -2.736 -3.871 -0.418 0.00 0.00 +0.115 A ATOM 35 C LIG 1 -4.284 0.090 -0.121 0.00 0.00 -0.027 A ATOM 36 C LIG 1 -1.876 -2.911 0.076 0.00 0.00 +0.043 A ENDBRANCH 19 21 ENDBRANCH 4 19 TORSDOF 4