REMARK Name = BDB004640 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.350 -4.028 0.606 0.00 0.00 +0.066 A ATOM 2 C LIG 1 1.003 -3.679 0.796 0.00 0.00 +0.088 A ATOM 3 C LIG 1 1.401 -2.393 0.390 0.00 0.00 +0.044 A ATOM 4 C LIG 1 2.760 -2.063 0.573 0.00 0.00 +0.130 A ATOM 5 N LIG 1 3.631 -2.910 1.143 0.00 0.00 -0.220 NA ATOM 6 C LIG 1 3.157 -4.101 1.502 0.00 0.00 +0.223 A ATOM 7 C LIG 1 0.451 -1.498 -0.162 0.00 0.00 +0.059 A ATOM 8 C LIG 1 -0.880 -1.857 -0.344 0.00 0.00 +0.122 A ATOM 9 N LIG 1 1.899 -4.528 1.348 0.00 0.00 -0.235 NA ATOM 10 C LIG 1 -1.276 -3.125 0.040 0.00 0.00 +0.060 A ENDROOT BRANCH 1 14 ATOM 11 N LIG 1 -0.066 -6.307 1.489 0.00 0.00 -0.325 N ATOM 12 H LIG 1 -0.444 -7.194 1.788 0.00 0.00 +0.145 HD ATOM 13 H LIG 1 0.915 -6.095 1.651 0.00 0.00 +0.145 HD ATOM 14 C LIG 1 -0.911 -5.362 0.990 0.00 0.00 +0.244 C ATOM 15 O LIG 1 -2.105 -5.615 0.864 0.00 0.00 -0.270 OA ENDBRANCH 1 14 BRANCH 4 16 ATOM 16 N LIG 1 3.223 -0.790 0.182 0.00 0.00 -0.324 N ATOM 17 H LIG 1 2.971 -0.622 -0.788 0.00 0.00 +0.148 HD BRANCH 16 18 ATOM 18 C LIG 1 4.645 -0.552 0.398 0.00 0.00 +0.138 C BRANCH 18 19 ATOM 19 C LIG 1 4.987 0.832 -0.110 0.00 0.00 -0.030 A ATOM 20 C LIG 1 4.519 1.968 0.566 0.00 0.00 +0.006 A ATOM 21 C LIG 1 4.821 3.249 0.099 0.00 0.00 +0.013 A ATOM 22 C LIG 1 5.590 3.420 -1.062 0.00 0.00 +0.055 A ATOM 23 C LIG 1 6.060 2.283 -1.736 0.00 0.00 +0.013 A ATOM 24 C LIG 1 5.757 1.002 -1.268 0.00 0.00 +0.006 A BRANCH 22 25 ATOM 25 C LIG 1 5.936 4.803 -1.556 0.00 0.00 +0.417 C ATOM 26 F LIG 1 7.104 5.264 -1.028 0.00 0.00 -0.166 F ATOM 27 F LIG 1 4.992 5.735 -1.247 0.00 0.00 -0.166 F ATOM 28 F LIG 1 6.088 4.865 -2.909 0.00 0.00 -0.166 F ENDBRANCH 22 25 ENDBRANCH 18 19 ENDBRANCH 16 18 ENDBRANCH 4 16 BRANCH 8 29 ATOM 29 O LIG 1 -1.663 -0.883 -0.888 0.00 0.00 -0.492 OA BRANCH 29 30 ATOM 30 C LIG 1 -3.034 -1.169 -1.181 0.00 0.00 +0.230 C BRANCH 30 31 ATOM 31 C LIG 1 -3.936 -0.935 0.033 0.00 0.00 +0.056 C BRANCH 31 32 ATOM 32 C LIG 1 -3.907 0.514 0.539 0.00 0.00 +0.088 C BRANCH 32 33 ATOM 33 N LIG 1 -4.425 1.476 -0.444 0.00 0.00 -0.298 NA ATOM 34 C LIG 1 -5.899 1.453 -0.572 0.00 0.00 +0.112 C ATOM 35 C LIG 1 -6.600 2.630 0.128 0.00 0.00 +0.175 C ATOM 36 O LIG 1 -6.172 3.910 -0.354 0.00 0.00 -0.377 OA ATOM 37 C LIG 1 -4.816 3.910 -0.819 0.00 0.00 +0.175 C ATOM 38 C LIG 1 -3.952 2.843 -0.133 0.00 0.00 +0.112 C ENDBRANCH 32 33 ENDBRANCH 31 32 ENDBRANCH 30 31 ENDBRANCH 29 30 ENDBRANCH 8 29 TORSDOF 10