REMARK Name = BDB035441 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.117 0.643 -0.676 0.00 0.00 -0.263 N ATOM 2 C LIG 1 0.550 -0.417 -0.052 0.00 0.00 +0.251 C ATOM 3 O LIG 1 0.140 -1.308 0.669 0.00 0.00 -0.270 OA ATOM 4 C LIG 1 1.963 -0.320 -0.438 0.00 0.00 +0.043 A ATOM 5 C LIG 1 3.019 -1.129 -0.057 0.00 0.00 +0.018 A ATOM 6 C LIG 1 4.290 -0.827 -0.562 0.00 0.00 -0.032 A ATOM 7 C LIG 1 4.451 0.281 -1.431 0.00 0.00 +0.017 A ATOM 8 C LIG 1 3.365 1.092 -1.811 0.00 0.00 +0.061 A ATOM 9 C LIG 1 2.116 0.765 -1.293 0.00 0.00 -0.006 A ATOM 10 C LIG 1 0.791 1.424 -1.506 0.00 0.00 +0.150 C ENDROOT BRANCH 1 15 ATOM 11 C LIG 1 -3.438 2.288 -1.284 0.00 0.00 +0.029 A ATOM 12 C LIG 1 -4.237 1.528 -0.425 0.00 0.00 +0.027 A ATOM 13 C LIG 1 -3.723 0.517 0.415 0.00 0.00 -0.030 A ATOM 14 C LIG 1 -2.339 0.267 0.317 0.00 0.00 +0.028 A ATOM 15 C LIG 1 -1.501 0.955 -0.568 0.00 0.00 +0.039 A ATOM 16 C LIG 1 -2.075 1.964 -1.355 0.00 0.00 +0.046 A BRANCH 13 17 ATOM 17 C LIG 1 -4.685 -0.306 1.399 0.00 0.00 +0.056 C ATOM 18 C LIG 1 -4.075 -0.979 2.680 0.00 0.00 +0.022 C ATOM 19 C LIG 1 -5.337 -0.549 3.464 0.00 0.00 -0.012 C ATOM 20 C LIG 1 -5.123 -0.093 4.893 0.00 0.00 +0.007 C ATOM 21 C LIG 1 -5.528 0.562 2.407 0.00 0.00 +0.022 C BRANCH 17 22 ATOM 22 C LIG 1 -5.577 -1.316 0.554 0.00 0.00 +0.144 A ATOM 23 N LIG 1 -5.150 -2.352 -0.232 0.00 0.00 -0.320 N ATOM 24 C LIG 1 -3.803 -2.780 -0.489 0.00 0.00 +0.151 C ATOM 25 C LIG 1 -6.275 -2.912 -0.757 0.00 0.00 +0.224 A ATOM 26 N LIG 1 -7.332 -2.266 -0.323 0.00 0.00 -0.138 NA ATOM 27 N LIG 1 -6.893 -1.256 0.499 0.00 0.00 -0.134 NA ENDBRANCH 17 22 ENDBRANCH 13 17 BRANCH 11 28 ATOM 28 N LIG 1 -3.936 3.246 -2.168 0.00 0.00 -0.344 N ATOM 29 H LIG 1 -3.250 3.959 -2.401 0.00 0.00 +0.146 HD BRANCH 28 31 ATOM 30 C LIG 1 -6.261 2.951 -2.885 0.00 0.00 +0.024 C ATOM 31 C LIG 1 -5.290 3.776 -2.056 0.00 0.00 +0.098 C ENDBRANCH 28 31 ENDBRANCH 11 28 ENDBRANCH 1 15 BRANCH 8 32 ATOM 32 C LIG 1 3.541 2.273 -2.727 0.00 0.00 +0.418 C ATOM 33 F LIG 1 3.245 3.449 -2.109 0.00 0.00 -0.166 F ATOM 34 F LIG 1 4.801 2.409 -3.220 0.00 0.00 -0.166 F ATOM 35 F LIG 1 2.717 2.208 -3.810 0.00 0.00 -0.166 F ENDBRANCH 8 32 BRANCH 6 36 ATOM 36 C LIG 1 5.492 -1.663 -0.176 0.00 0.00 +0.116 C BRANCH 36 37 ATOM 37 N LIG 1 6.400 -0.878 0.659 0.00 0.00 -0.307 NA ATOM 38 H LIG 1 5.919 -0.642 1.527 0.00 0.00 +0.123 HD BRANCH 37 39 ATOM 39 C LIG 1 7.704 -1.538 0.862 0.00 0.00 +0.017 C ATOM 40 C LIG 1 8.614 -0.511 1.600 0.00 0.00 +0.022 C ATOM 41 C LIG 1 9.073 0.018 0.226 0.00 0.00 +0.004 C ATOM 42 C LIG 1 8.604 -1.318 -0.386 0.00 0.00 +0.022 C ATOM 43 C LIG 1 7.641 -2.912 1.495 0.00 0.00 +0.027 C ENDBRANCH 37 39 ENDBRANCH 36 37 ENDBRANCH 6 36 TORSDOF 9