REMARK Name = BDB016418 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 3.026 -0.462 0.093 0.00 0.00 -0.006 A ATOM 2 C LIG 1 2.010 -1.117 -0.622 0.00 0.00 +0.027 A ATOM 3 C LIG 1 0.669 -0.905 -0.247 0.00 0.00 +0.033 A ATOM 4 C LIG 1 0.306 -0.061 0.818 0.00 0.00 +0.039 A ATOM 5 N LIG 1 -1.063 0.153 1.134 0.00 0.00 -0.283 N ATOM 6 C LIG 1 -1.295 0.727 2.472 0.00 0.00 +0.113 C ATOM 7 C LIG 1 -0.426 1.962 2.664 0.00 0.00 +0.024 C ATOM 8 C LIG 1 1.036 1.550 2.641 0.00 0.00 +0.038 C ATOM 9 C LIG 1 1.336 0.621 1.494 0.00 0.00 -0.025 A ATOM 10 C LIG 1 2.679 0.404 1.140 0.00 0.00 +0.014 A ENDROOT BRANCH 5 11 ATOM 11 C LIG 1 -2.093 -0.822 0.893 0.00 0.00 +0.148 A ATOM 12 C LIG 1 -3.288 -0.369 0.245 0.00 0.00 +0.090 A ATOM 13 N LIG 1 -3.367 1.007 -0.072 0.00 0.00 -0.337 N ATOM 14 H LIG 1 -2.404 1.358 -0.124 0.00 0.00 +0.146 HD ATOM 15 C LIG 1 -4.191 1.398 -1.203 0.00 0.00 +0.076 C ATOM 16 C LIG 1 -5.640 1.383 -0.763 0.00 0.00 +0.118 C ATOM 17 C LIG 1 -6.235 0.018 -0.910 0.00 0.00 +0.219 C ATOM 18 N LIG 1 -5.584 -1.098 -0.497 0.00 0.00 -0.284 N ATOM 19 H LIG 1 -6.176 -1.912 -0.616 0.00 0.00 +0.155 HD ATOM 20 O LIG 1 -7.374 -0.117 -1.368 0.00 0.00 -0.275 OA ATOM 21 C LIG 1 -3.784 2.815 -1.621 0.00 0.00 +0.028 C ATOM 22 C LIG 1 -4.306 -1.318 0.060 0.00 0.00 +0.059 A ATOM 23 C LIG 1 -4.066 -2.645 0.442 0.00 0.00 +0.045 A ATOM 24 C LIG 1 -2.860 -2.985 1.024 0.00 0.00 +0.115 A ATOM 25 N LIG 1 -1.877 -2.105 1.264 0.00 0.00 -0.238 NA ENDBRANCH 5 11 BRANCH 2 26 ATOM 26 C LIG 1 2.322 -2.054 -1.762 0.00 0.00 +0.372 C ATOM 27 F LIG 1 2.896 -3.213 -1.334 0.00 0.00 -0.204 F ATOM 28 F LIG 1 1.219 -2.434 -2.471 0.00 0.00 -0.204 F ENDBRANCH 2 26 BRANCH 1 30 ATOM 29 C LIG 1 5.111 0.333 -0.881 0.00 0.00 +0.077 C ATOM 30 C LIG 1 4.453 -0.642 -0.227 0.00 0.00 +0.013 C BRANCH 29 32 ATOM 31 C LIG 1 6.984 1.149 -2.319 0.00 0.00 +0.125 C ATOM 32 N LIG 1 6.439 0.360 -1.240 0.00 0.00 -0.352 N ATOM 33 H LIG 1 6.887 -0.558 -1.093 0.00 0.00 +0.145 HD ENDBRANCH 29 32 BRANCH 30 34 ATOM 34 C LIG 1 5.145 -1.900 0.185 0.00 0.00 +0.111 C ATOM 35 N LIG 1 6.327 -2.267 -0.196 0.00 0.00 -0.307 NA ATOM 36 H LIG 1 6.547 -3.176 0.228 0.00 0.00 +0.186 HD ENDBRANCH 30 34 ENDBRANCH 1 30 TORSDOF 5