REMARK Name = BDB021574 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.516 -2.941 3.778 0.00 0.00 +0.057 C ATOM 2 C LIG 1 0.485 -3.143 2.251 0.00 0.00 +0.121 C ATOM 3 O LIG 1 1.754 -2.662 1.804 0.00 0.00 -0.484 OA ATOM 4 C LIG 1 1.963 -2.096 0.585 0.00 0.00 +0.134 A ATOM 5 C LIG 1 1.151 -2.055 -0.551 0.00 0.00 +0.079 A ATOM 6 C LIG 1 1.639 -1.404 -1.707 0.00 0.00 +0.017 A ATOM 7 C LIG 1 2.897 -0.802 -1.737 0.00 0.00 +0.006 A ATOM 8 C LIG 1 3.713 -0.835 -0.609 0.00 0.00 -0.030 A ATOM 9 C LIG 1 -0.199 -2.660 -0.720 0.00 0.00 +0.250 C ATOM 10 O LIG 1 -0.542 -3.024 -1.846 0.00 0.00 -0.270 OA ATOM 11 N LIG 1 -1.067 -2.755 0.356 0.00 0.00 -0.291 N ATOM 12 C LIG 1 3.237 -1.492 0.534 0.00 0.00 +0.051 A ATOM 13 C LIG 1 -0.703 -2.338 1.700 0.00 0.00 +0.155 C ATOM 14 C LIG 1 0.402 -4.650 1.974 0.00 0.00 +0.057 C ENDROOT BRANCH 8 15 ATOM 15 C LIG 1 5.095 -0.216 -0.628 0.00 0.00 +0.119 C BRANCH 15 16 ATOM 16 N LIG 1 5.094 1.188 -1.061 0.00 0.00 -0.295 NA ATOM 17 C LIG 1 6.460 1.611 -1.443 0.00 0.00 +0.103 C ATOM 18 C LIG 1 6.653 3.136 -1.448 0.00 0.00 +0.123 C ATOM 19 N LIG 1 6.363 3.713 -0.139 0.00 0.00 -0.302 N ATOM 20 C LIG 1 6.915 4.914 0.235 0.00 0.00 +0.328 C ATOM 21 O LIG 1 7.671 5.594 -0.445 0.00 0.00 -0.279 OA ATOM 22 C LIG 1 5.447 2.978 0.725 0.00 0.00 +0.123 C ATOM 23 C LIG 1 4.469 2.101 -0.080 0.00 0.00 +0.103 C ENDBRANCH 15 16 ENDBRANCH 8 15 BRANCH 11 24 ATOM 24 C LIG 1 -2.418 -3.279 0.141 0.00 0.00 +0.140 C BRANCH 24 25 ATOM 25 C LIG 1 -3.508 -2.189 0.071 0.00 0.00 +0.146 C BRANCH 25 26 ATOM 26 O LIG 1 -4.782 -2.844 0.188 0.00 0.00 -0.389 OA ATOM 27 H LIG 1 -4.959 -3.287 -0.661 0.00 0.00 +0.210 HD ENDBRANCH 25 26 BRANCH 25 28 ATOM 28 C LIG 1 -3.426 -1.360 -1.239 0.00 0.00 +0.117 C BRANCH 28 29 ATOM 29 N LIG 1 -4.275 -0.158 -1.361 0.00 0.00 -0.295 NA ATOM 30 C LIG 1 -3.834 0.931 -0.476 0.00 0.00 +0.120 C ATOM 31 C LIG 1 -4.698 2.173 -0.572 0.00 0.00 -0.030 A ATOM 32 C LIG 1 -6.003 2.105 -1.094 0.00 0.00 -0.042 A ATOM 33 C LIG 1 -6.794 3.260 -1.145 0.00 0.00 +0.004 A ATOM 34 C LIG 1 -6.304 4.471 -0.657 0.00 0.00 +0.000 A ATOM 35 C LIG 1 -5.019 4.538 -0.123 0.00 0.00 +0.000 A ATOM 36 C LIG 1 -6.520 0.805 -1.657 0.00 0.00 +0.051 C ATOM 37 C LIG 1 -4.221 3.395 -0.077 0.00 0.00 +0.005 A ATOM 38 C LIG 1 -5.707 -0.408 -1.181 0.00 0.00 +0.089 C ENDBRANCH 28 29 ENDBRANCH 25 28 ENDBRANCH 24 25 ENDBRANCH 11 24 TORSDOF 7