REMARK Name = BDB035630 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.253 0.526 -1.266 0.00 0.00 -0.263 N ATOM 2 C LIG 1 0.952 1.050 -1.749 0.00 0.00 +0.251 C ATOM 3 O LIG 1 1.184 1.997 -2.477 0.00 0.00 -0.270 OA ATOM 4 C LIG 1 2.031 0.216 -1.204 0.00 0.00 +0.043 A ATOM 5 C LIG 1 3.396 0.339 -1.392 0.00 0.00 +0.018 A ATOM 6 C LIG 1 4.231 -0.588 -0.755 0.00 0.00 -0.032 A ATOM 7 C LIG 1 3.661 -1.600 0.057 0.00 0.00 +0.017 A ATOM 8 C LIG 1 2.269 -1.711 0.236 0.00 0.00 +0.061 A ATOM 9 C LIG 1 1.468 -0.778 -0.414 0.00 0.00 -0.006 A ATOM 10 C LIG 1 -0.019 -0.633 -0.415 0.00 0.00 +0.150 C ENDROOT BRANCH 1 13 ATOM 11 C LIG 1 -4.021 0.827 -1.220 0.00 0.00 -0.032 A ATOM 12 C LIG 1 -2.694 0.392 -0.982 0.00 0.00 +0.028 A ATOM 13 C LIG 1 -1.560 1.015 -1.542 0.00 0.00 +0.037 A ATOM 14 C LIG 1 -1.774 2.118 -2.370 0.00 0.00 +0.023 A ATOM 15 C LIG 1 -3.063 2.582 -2.628 0.00 0.00 +0.002 A ATOM 16 C LIG 1 -4.164 1.944 -2.062 0.00 0.00 +0.005 A BRANCH 11 17 ATOM 17 C LIG 1 -5.303 0.114 -0.573 0.00 0.00 +0.060 C ATOM 18 C LIG 1 -5.178 -1.373 -0.099 0.00 0.00 +0.051 C ATOM 19 C LIG 1 -6.601 -1.638 -0.635 0.00 0.00 +0.122 C ATOM 20 C LIG 1 -6.375 -0.438 -1.586 0.00 0.00 +0.051 C BRANCH 17 23 ATOM 21 C LIG 1 -4.182 1.061 2.332 0.00 0.00 +0.151 C ATOM 22 N LIG 1 -5.436 1.433 1.740 0.00 0.00 -0.320 N ATOM 23 C LIG 1 -5.944 1.078 0.520 0.00 0.00 +0.144 A ATOM 24 N LIG 1 -7.087 1.708 0.340 0.00 0.00 -0.134 NA ATOM 25 N LIG 1 -7.351 2.451 1.465 0.00 0.00 -0.138 NA ATOM 26 C LIG 1 -6.353 2.272 2.298 0.00 0.00 +0.224 A ENDBRANCH 17 23 BRANCH 19 27 ATOM 27 O LIG 1 -7.711 -1.490 0.278 0.00 0.00 -0.362 OA BRANCH 27 28 ATOM 28 C LIG 1 -7.848 -2.443 1.335 0.00 0.00 +0.278 C BRANCH 28 29 ATOM 29 C LIG 1 -7.129 -2.018 2.547 0.00 0.00 +0.091 C ATOM 30 N LIG 1 -6.514 -1.704 3.482 0.00 0.00 -0.194 NA ENDBRANCH 28 29 ENDBRANCH 27 28 ENDBRANCH 19 27 ENDBRANCH 11 17 ENDBRANCH 1 13 BRANCH 8 31 ATOM 31 C LIG 1 1.664 -2.780 1.104 0.00 0.00 +0.418 C ATOM 32 F LIG 1 2.567 -3.653 1.625 0.00 0.00 -0.166 F ATOM 33 F LIG 1 0.755 -3.536 0.426 0.00 0.00 -0.166 F ATOM 34 F LIG 1 0.985 -2.257 2.163 0.00 0.00 -0.166 F ENDBRANCH 8 31 BRANCH 6 35 ATOM 35 C LIG 1 5.735 -0.496 -0.904 0.00 0.00 +0.116 C BRANCH 35 36 ATOM 36 N LIG 1 6.334 -0.001 0.337 0.00 0.00 -0.307 NA ATOM 37 H LIG 1 5.845 0.853 0.606 0.00 0.00 +0.123 HD BRANCH 36 38 ATOM 38 C LIG 1 7.794 0.159 0.226 0.00 0.00 +0.017 C ATOM 39 C LIG 1 8.133 1.422 -0.614 0.00 0.00 +0.022 C ATOM 40 C LIG 1 9.103 1.836 0.512 0.00 0.00 +0.004 C ATOM 41 C LIG 1 8.262 0.968 1.474 0.00 0.00 +0.022 C ATOM 42 C LIG 1 8.562 -1.126 -0.029 0.00 0.00 +0.027 C ENDBRANCH 36 38 ENDBRANCH 35 36 ENDBRANCH 6 35 TORSDOF 10