REMARK Name = BDB021521 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.286 -4.166 -0.831 0.00 0.00 +0.057 C ATOM 2 C LIG 1 1.485 -2.647 -0.942 0.00 0.00 +0.121 C ATOM 3 O LIG 1 2.607 -2.346 -0.085 0.00 0.00 -0.484 OA ATOM 4 C LIG 1 2.686 -1.074 0.407 0.00 0.00 +0.137 A ATOM 5 C LIG 1 1.775 -0.542 1.323 0.00 0.00 +0.079 A ATOM 6 C LIG 1 2.005 0.729 1.864 0.00 0.00 +0.020 A ATOM 7 C LIG 1 3.131 1.459 1.479 0.00 0.00 +0.046 A ATOM 8 C LIG 1 4.051 0.923 0.575 0.00 0.00 +0.124 A ATOM 9 C LIG 1 0.576 -1.283 1.782 0.00 0.00 +0.250 C ATOM 10 O LIG 1 0.245 -1.206 2.962 0.00 0.00 -0.270 OA ATOM 11 N LIG 1 -0.152 -1.991 0.834 0.00 0.00 -0.291 N ATOM 12 C LIG 1 3.831 -0.351 0.050 0.00 0.00 +0.092 A ATOM 13 C LIG 1 0.169 -1.917 -0.589 0.00 0.00 +0.155 C ATOM 14 C LIG 1 1.887 -2.309 -2.386 0.00 0.00 +0.057 C ENDROOT BRANCH 8 15 ATOM 15 O LIG 1 5.114 1.737 0.296 0.00 0.00 -0.487 OA BRANCH 15 16 ATOM 16 C LIG 1 6.143 1.204 -0.538 0.00 0.00 +0.264 C BRANCH 16 17 ATOM 17 C LIG 1 7.219 2.247 -0.711 0.00 0.00 -0.008 A ATOM 18 C LIG 1 8.563 1.938 -0.483 0.00 0.00 +0.026 A ATOM 19 C LIG 1 9.516 2.926 -0.683 0.00 0.00 +0.111 A ATOM 20 N LIG 1 9.227 4.178 -1.096 0.00 0.00 -0.263 NA ATOM 21 C LIG 1 7.924 4.457 -1.312 0.00 0.00 +0.111 A ATOM 22 C LIG 1 6.900 3.540 -1.141 0.00 0.00 +0.026 A ENDBRANCH 16 17 ENDBRANCH 15 16 ENDBRANCH 8 15 BRANCH 11 23 ATOM 23 C LIG 1 -1.306 -2.780 1.264 0.00 0.00 +0.140 C BRANCH 23 24 ATOM 24 C LIG 1 -2.560 -1.961 1.628 0.00 0.00 +0.146 C BRANCH 24 25 ATOM 25 O LIG 1 -3.594 -2.884 1.994 0.00 0.00 -0.389 OA ATOM 26 H LIG 1 -4.284 -2.325 2.398 0.00 0.00 +0.210 HD ENDBRANCH 24 25 BRANCH 24 27 ATOM 27 C LIG 1 -3.027 -1.057 0.464 0.00 0.00 +0.117 C BRANCH 27 28 ATOM 28 N LIG 1 -4.306 -0.363 0.732 0.00 0.00 -0.295 NA ATOM 29 C LIG 1 -4.315 0.972 0.111 0.00 0.00 +0.120 C ATOM 30 C LIG 1 -5.655 1.655 0.236 0.00 0.00 -0.030 A ATOM 31 C LIG 1 -6.800 0.906 -0.080 0.00 0.00 -0.042 A ATOM 32 C LIG 1 -8.062 1.503 -0.052 0.00 0.00 +0.004 A ATOM 33 C LIG 1 -8.183 2.845 0.310 0.00 0.00 +0.000 A ATOM 34 C LIG 1 -7.048 3.591 0.631 0.00 0.00 +0.000 A ATOM 35 C LIG 1 -6.584 -0.525 -0.481 0.00 0.00 +0.051 C ATOM 36 C LIG 1 -5.784 3.002 0.588 0.00 0.00 +0.005 A ATOM 37 C LIG 1 -5.491 -1.183 0.387 0.00 0.00 +0.089 C ENDBRANCH 27 28 ENDBRANCH 24 27 ENDBRANCH 23 24 ENDBRANCH 11 23 TORSDOF 8