REMARK Name = BDB001321 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -2.180 -0.538 -0.628 0.00 0.00 -0.312 N ATOM 2 C LIG 1 -1.855 0.775 -0.399 0.00 0.00 +0.162 A ATOM 3 C LIG 1 -0.516 0.820 -0.036 0.00 0.00 +0.122 A ATOM 4 N LIG 1 0.103 1.997 0.254 0.00 0.00 -0.241 NA ATOM 5 C LIG 1 -0.693 3.077 0.161 0.00 0.00 +0.090 A ATOM 6 C LIG 1 -2.064 2.999 -0.209 0.00 0.00 +0.092 A ATOM 7 C LIG 1 -2.808 4.170 -0.277 0.00 0.00 +0.030 A ATOM 8 C LIG 1 -2.242 5.414 0.006 0.00 0.00 +0.002 A ATOM 9 C LIG 1 -0.904 5.490 0.366 0.00 0.00 +0.002 A ATOM 10 C LIG 1 -0.144 4.322 0.440 0.00 0.00 +0.030 A ATOM 11 C LIG 1 -0.009 -0.508 -0.041 0.00 0.00 +0.103 A ATOM 12 N LIG 1 -2.678 1.839 -0.496 0.00 0.00 -0.226 NA ATOM 13 C LIG 1 -1.072 -1.329 -0.409 0.00 0.00 +0.112 A ENDROOT BRANCH 11 14 ATOM 14 C LIG 1 1.343 -0.961 0.263 0.00 0.00 +0.250 C ATOM 15 N LIG 1 2.203 0.032 0.679 0.00 0.00 -0.311 N ATOM 16 H LIG 1 1.856 0.989 0.677 0.00 0.00 +0.149 HD ATOM 17 O LIG 1 1.692 -2.134 0.146 0.00 0.00 -0.270 OA BRANCH 15 18 ATOM 18 C LIG 1 3.605 -0.208 0.938 0.00 0.00 +0.105 C BRANCH 18 19 ATOM 19 C LIG 1 4.425 -0.140 -0.351 0.00 0.00 +0.022 C BRANCH 19 20 ATOM 20 C LIG 1 5.939 -0.362 -0.179 0.00 0.00 -0.016 C ATOM 21 C LIG 1 6.588 0.707 0.700 0.00 0.00 +0.007 C ATOM 22 C LIG 1 6.264 -1.759 0.350 0.00 0.00 +0.007 C ENDBRANCH 19 20 ENDBRANCH 18 19 ENDBRANCH 15 18 ENDBRANCH 11 14 BRANCH 13 23 ATOM 23 N LIG 1 -1.114 -2.676 -0.531 0.00 0.00 -0.344 N ATOM 24 H LIG 1 -0.216 -3.171 -0.488 0.00 0.00 +0.144 HD ATOM 25 H LIG 1 -1.769 -3.141 -1.153 0.00 0.00 +0.144 HD ENDBRANCH 13 23 BRANCH 1 26 ATOM 26 C LIG 1 -3.511 -0.987 -1.003 0.00 0.00 +0.127 C BRANCH 26 27 ATOM 27 C LIG 1 -4.351 -1.351 0.219 0.00 0.00 +0.050 C BRANCH 27 28 ATOM 28 C LIG 1 -5.739 -1.836 -0.181 0.00 0.00 +0.161 C BRANCH 28 30 ATOM 29 C LIG 1 -5.449 -4.187 -0.385 0.00 0.00 +0.193 C ATOM 30 O LIG 1 -5.683 -2.958 -1.061 0.00 0.00 -0.383 OA ENDBRANCH 28 30 ENDBRANCH 27 28 ENDBRANCH 26 27 ENDBRANCH 1 26 TORSDOF 9