REMARK Name = BDB021203 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.001 0.156 0.374 0.00 0.00 +0.044 A ATOM 2 C LIG 1 0.361 -1.112 0.288 0.00 0.00 +0.151 A ATOM 3 N LIG 1 -1.016 -1.117 0.390 0.00 0.00 -0.270 N ATOM 4 C LIG 1 -1.422 -2.430 0.338 0.00 0.00 +0.134 A ATOM 5 C LIG 1 -0.265 -3.155 0.165 0.00 0.00 +0.159 A ATOM 6 C LIG 1 -1.770 0.061 0.549 0.00 0.00 +0.202 A ATOM 7 N LIG 1 -1.170 1.215 0.659 0.00 0.00 -0.223 NA ATOM 8 N LIG 1 0.836 -2.333 0.129 0.00 0.00 -0.217 NA ATOM 9 C LIG 1 0.207 1.231 0.572 0.00 0.00 +0.126 A ENDROOT BRANCH 1 12 ATOM 10 C LIG 1 2.315 1.164 -2.125 0.00 0.00 +0.044 C ATOM 11 C LIG 1 3.093 0.836 -0.879 0.00 0.00 -0.042 A ATOM 12 C LIG 1 2.462 0.357 0.292 0.00 0.00 -0.007 A ATOM 13 C LIG 1 3.234 0.063 1.427 0.00 0.00 +0.048 A ATOM 14 C LIG 1 4.613 0.246 1.405 0.00 0.00 +0.136 A ATOM 15 F LIG 1 5.317 -0.029 2.513 0.00 0.00 -0.205 F ATOM 16 C LIG 1 5.242 0.709 0.255 0.00 0.00 +0.072 A ATOM 17 C LIG 1 4.487 1.023 -0.879 0.00 0.00 +0.020 A BRANCH 16 18 ATOM 18 C LIG 1 6.694 0.950 0.233 0.00 0.00 +0.249 C ATOM 19 N LIG 1 7.569 -0.124 0.377 0.00 0.00 -0.304 N ATOM 20 C LIG 1 8.986 0.149 0.545 0.00 0.00 +0.132 C ATOM 21 C LIG 1 7.163 -1.517 0.512 0.00 0.00 +0.132 C ATOM 22 O LIG 1 7.056 2.112 0.059 0.00 0.00 -0.270 OA ENDBRANCH 16 18 ENDBRANCH 1 12 BRANCH 5 23 ATOM 23 C LIG 1 -0.145 -4.577 0.042 0.00 0.00 +0.121 C ATOM 24 N LIG 1 -0.076 -5.731 -0.061 0.00 0.00 -0.189 NA ENDBRANCH 5 23 BRANCH 6 25 ATOM 25 N LIG 1 -3.144 0.006 0.611 0.00 0.00 -0.310 N ATOM 26 H LIG 1 -3.469 0.896 0.988 0.00 0.00 +0.149 HD BRANCH 25 27 ATOM 27 C LIG 1 -3.887 -0.264 -0.617 0.00 0.00 +0.143 C BRANCH 27 28 ATOM 28 C LIG 1 -5.358 -0.257 -0.327 0.00 0.00 +0.012 A ATOM 29 C LIG 1 -6.120 0.909 -0.341 0.00 0.00 +0.005 A ATOM 30 C LIG 1 -5.719 2.318 -0.585 0.00 0.00 +0.080 C ATOM 31 C LIG 1 -7.105 2.947 -0.737 0.00 0.00 +0.234 C ATOM 32 O LIG 1 -8.076 2.113 -0.065 0.00 0.00 -0.491 OA ATOM 33 C LIG 1 -7.473 0.881 -0.024 0.00 0.00 +0.124 A ATOM 34 C LIG 1 -8.127 -0.285 0.321 0.00 0.00 +0.049 A ATOM 35 C LIG 1 -7.385 -1.467 0.335 0.00 0.00 +0.042 A ATOM 36 C LIG 1 -6.020 -1.444 0.017 0.00 0.00 +0.129 A ATOM 37 F LIG 1 -5.335 -2.598 0.049 0.00 0.00 -0.205 F ENDBRANCH 27 28 ENDBRANCH 25 27 ENDBRANCH 6 25 TORSDOF 6