REMARK Name = BDB001508 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.943 -1.136 3.994 0.00 0.00 -0.297 N ATOM 2 H LIG 1 -0.740 -0.757 4.913 0.00 0.00 +0.154 HD ENDROOT BRANCH 1 3 ATOM 3 C LIG 1 -2.306 -0.917 3.660 0.00 0.00 +0.164 A ATOM 4 C LIG 1 -3.284 -1.138 4.608 0.00 0.00 +0.181 A ATOM 5 F LIG 1 -2.991 -1.505 5.862 0.00 0.00 -0.200 F ATOM 6 C LIG 1 -4.582 -0.950 4.204 0.00 0.00 +0.156 A ATOM 7 N LIG 1 -4.929 -0.573 2.955 0.00 0.00 -0.220 NA ATOM 8 C LIG 1 -3.926 -0.368 2.086 0.00 0.00 +0.221 A ATOM 9 N LIG 1 -2.636 -0.535 2.410 0.00 0.00 -0.196 NA BRANCH 8 10 ATOM 10 N LIG 1 -4.292 -0.015 0.790 0.00 0.00 -0.284 N ATOM 11 H LIG 1 -5.295 -0.043 0.689 0.00 0.00 +0.155 HD BRANCH 10 12 ATOM 12 C LIG 1 -3.539 0.343 -0.336 0.00 0.00 +0.034 A ATOM 13 C LIG 1 -4.123 0.234 -1.607 0.00 0.00 +0.027 A ATOM 14 C LIG 1 -3.390 0.506 -2.768 0.00 0.00 +0.047 A ATOM 15 C LIG 1 -2.060 0.888 -2.669 0.00 0.00 +0.117 A ATOM 16 C LIG 1 -1.458 1.020 -1.427 0.00 0.00 +0.047 A ATOM 17 C LIG 1 -2.196 0.740 -0.271 0.00 0.00 +0.027 A BRANCH 15 18 ATOM 18 O LIG 1 -1.369 1.121 -3.820 0.00 0.00 -0.507 OA ATOM 19 H LIG 1 -0.429 1.251 -3.599 0.00 0.00 +0.292 HD ENDBRANCH 15 18 ENDBRANCH 10 12 ENDBRANCH 8 10 ENDBRANCH 1 3 BRANCH 1 23 ATOM 20 C LIG 1 2.218 -0.632 1.237 0.00 0.00 +0.037 A ATOM 21 C LIG 1 2.349 -0.167 2.549 0.00 0.00 +0.015 A ATOM 22 C LIG 1 1.314 -0.368 3.471 0.00 0.00 +0.024 A ATOM 23 C LIG 1 0.140 -1.032 3.092 0.00 0.00 +0.032 A ATOM 24 C LIG 1 0.063 -1.564 1.797 0.00 0.00 +0.024 A ATOM 25 C LIG 1 1.088 -1.367 0.871 0.00 0.00 +0.015 A BRANCH 20 27 ATOM 26 O LIG 1 4.446 -0.306 0.602 0.00 0.00 -0.270 OA ATOM 27 C LIG 1 3.276 -0.304 0.243 0.00 0.00 +0.248 C ATOM 28 N LIG 1 2.786 0.035 -1.004 0.00 0.00 -0.279 N ATOM 29 H LIG 1 1.780 0.102 -1.109 0.00 0.00 +0.155 HD BRANCH 28 30 ATOM 30 C LIG 1 3.520 0.405 -2.151 0.00 0.00 +0.069 A ATOM 31 C LIG 1 2.789 0.826 -3.272 0.00 0.00 +0.144 A ATOM 32 F LIG 1 1.446 0.878 -3.208 0.00 0.00 -0.204 F ATOM 33 C LIG 1 3.418 1.205 -4.454 0.00 0.00 +0.040 A ATOM 34 C LIG 1 4.808 1.167 -4.529 0.00 0.00 +0.003 A ATOM 35 C LIG 1 5.551 0.752 -3.423 0.00 0.00 +0.002 A ATOM 36 C LIG 1 4.911 0.371 -2.237 0.00 0.00 +0.026 A ENDBRANCH 28 30 ENDBRANCH 20 27 ENDBRANCH 1 23 TORSDOF 7