REMARK Name = BDB021608 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.986 -0.060 0.479 0.00 0.00 +0.040 A ATOM 2 C LIG 1 -2.790 -0.081 -0.905 0.00 0.00 +0.059 A ATOM 3 C LIG 1 -1.510 0.117 -1.424 0.00 0.00 +0.134 A ATOM 4 O LIG 1 -1.419 0.195 -2.783 0.00 0.00 -0.484 OA ATOM 5 C LIG 1 -0.609 -0.806 -3.435 0.00 0.00 +0.121 C ATOM 6 C LIG 1 0.654 -1.250 -2.660 0.00 0.00 +0.155 C ATOM 7 N LIG 1 1.413 -0.121 -2.124 0.00 0.00 -0.291 N ATOM 8 C LIG 1 0.938 0.629 -1.054 0.00 0.00 +0.250 C ATOM 9 O LIG 1 1.621 1.462 -0.464 0.00 0.00 -0.270 OA ATOM 10 C LIG 1 -1.495 -2.028 -3.720 0.00 0.00 +0.057 C ATOM 11 C LIG 1 -0.197 -0.176 -4.775 0.00 0.00 +0.057 C ATOM 12 C LIG 1 -0.433 0.356 -0.562 0.00 0.00 +0.079 A ATOM 13 C LIG 1 -0.640 0.365 0.827 0.00 0.00 +0.017 A ATOM 14 C LIG 1 -1.913 0.138 1.350 0.00 0.00 +0.014 A ENDROOT BRANCH 1 18 ATOM 15 C LIG 1 -4.616 2.928 1.500 0.00 0.00 +0.030 C ATOM 16 C LIG 1 -5.098 2.023 0.362 0.00 0.00 +0.099 C ATOM 17 N LIG 1 -5.339 0.632 0.822 0.00 0.00 -0.288 N ATOM 18 C LIG 1 -4.328 -0.308 1.037 0.00 0.00 +0.247 C ATOM 19 O LIG 1 -4.487 -1.357 1.656 0.00 0.00 -0.270 OA ATOM 20 C LIG 1 -6.667 0.335 1.400 0.00 0.00 +0.099 C ATOM 21 C LIG 1 -6.733 0.647 2.899 0.00 0.00 +0.030 C ATOM 22 C LIG 1 -7.796 1.050 0.637 0.00 0.00 +0.182 C ATOM 23 O LIG 1 -7.521 2.447 0.469 0.00 0.00 -0.376 OA ATOM 24 C LIG 1 -6.341 2.617 -0.326 0.00 0.00 +0.182 C ENDBRANCH 1 18 BRANCH 7 25 ATOM 25 C LIG 1 2.797 0.063 -2.570 0.00 0.00 +0.140 C BRANCH 25 26 ATOM 26 C LIG 1 3.825 -0.894 -1.933 0.00 0.00 +0.146 C BRANCH 26 27 ATOM 27 O LIG 1 3.586 -2.246 -2.362 0.00 0.00 -0.389 OA ATOM 28 H LIG 1 4.036 -2.794 -1.685 0.00 0.00 +0.210 HD ENDBRANCH 26 27 BRANCH 26 29 ATOM 29 C LIG 1 3.858 -0.857 -0.390 0.00 0.00 +0.117 C BRANCH 29 30 ATOM 30 N LIG 1 4.778 -1.888 0.160 0.00 0.00 -0.295 NA ATOM 31 C LIG 1 4.577 -2.044 1.618 0.00 0.00 +0.120 C ATOM 32 C LIG 1 5.181 -0.949 2.471 0.00 0.00 -0.030 A ATOM 33 C LIG 1 6.244 -0.162 1.992 0.00 0.00 -0.042 A ATOM 34 C LIG 1 6.809 0.821 2.817 0.00 0.00 +0.004 A ATOM 35 C LIG 1 6.338 1.006 4.116 0.00 0.00 +0.000 A ATOM 36 C LIG 1 5.298 0.216 4.600 0.00 0.00 +0.000 A ATOM 37 C LIG 1 6.733 -0.327 0.576 0.00 0.00 +0.051 C ATOM 38 C LIG 1 4.724 -0.760 3.784 0.00 0.00 +0.005 A ATOM 39 C LIG 1 6.205 -1.608 -0.088 0.00 0.00 +0.089 C ENDBRANCH 29 30 ENDBRANCH 26 29 ENDBRANCH 25 26 ENDBRANCH 7 25 TORSDOF 6