REMARK Name = BDB010094 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.396 -1.822 -0.052 0.00 0.00 +0.151 A ATOM 2 C LIG 1 -1.914 -0.520 -0.097 0.00 0.00 +0.129 A ATOM 3 C LIG 1 -2.688 0.518 0.390 0.00 0.00 +0.184 A ATOM 4 N LIG 1 -2.067 1.721 0.240 0.00 0.00 -0.208 NA ATOM 5 C LIG 1 -0.914 1.460 -0.344 0.00 0.00 +0.144 A ATOM 6 N LIG 1 -3.904 0.361 0.934 0.00 0.00 -0.200 NA ATOM 7 C LIG 1 -4.297 -0.920 0.955 0.00 0.00 +0.242 A ATOM 8 N LIG 1 -0.761 0.094 -0.532 0.00 0.00 -0.315 N ATOM 9 N LIG 1 -3.615 -1.996 0.496 0.00 0.00 -0.205 NA ENDROOT BRANCH 5 10 ATOM 10 C LIG 1 0.079 2.467 -0.706 0.00 0.00 +0.018 A ATOM 11 C LIG 1 0.857 3.069 0.291 0.00 0.00 +0.015 A ATOM 12 C LIG 1 1.834 4.017 -0.037 0.00 0.00 -0.050 A ATOM 13 C LIG 1 2.695 4.617 1.035 0.00 0.00 +0.044 C ATOM 14 C LIG 1 2.030 4.355 -1.382 0.00 0.00 +0.003 A ATOM 15 C LIG 1 1.243 3.777 -2.378 0.00 0.00 +0.001 A ATOM 16 C LIG 1 0.266 2.839 -2.042 0.00 0.00 +0.011 A ENDBRANCH 5 10 BRANCH 1 17 ATOM 17 N LIG 1 -1.671 -2.920 -0.554 0.00 0.00 -0.317 N ATOM 18 C LIG 1 -1.476 -3.892 0.535 0.00 0.00 +0.130 C BRANCH 17 20 ATOM 19 C LIG 1 -2.283 -2.664 -2.951 0.00 0.00 +0.024 C ATOM 20 C LIG 1 -2.384 -3.528 -1.701 0.00 0.00 +0.103 C ENDBRANCH 17 20 ENDBRANCH 1 17 BRANCH 7 21 ATOM 21 C LIG 1 -5.649 -1.220 1.549 0.00 0.00 +0.375 C ATOM 22 O LIG 1 -6.170 -2.319 1.654 0.00 0.00 -0.242 OA BRANCH 21 23 ATOM 23 O LIG 1 -6.301 -0.121 1.994 0.00 0.00 -0.475 OA ATOM 24 H LIG 1 -7.147 -0.466 2.345 0.00 0.00 +0.296 HD ENDBRANCH 21 23 ENDBRANCH 7 21 BRANCH 8 25 ATOM 25 C LIG 1 0.419 -0.553 -1.089 0.00 0.00 +0.159 C BRANCH 25 26 ATOM 26 C LIG 1 1.606 -0.497 -0.154 0.00 0.00 -0.028 A ATOM 27 C LIG 1 1.554 -1.089 1.116 0.00 0.00 +0.006 A ATOM 28 C LIG 1 2.652 -1.023 1.977 0.00 0.00 +0.013 A ATOM 29 C LIG 1 3.830 -0.374 1.583 0.00 0.00 +0.055 A ATOM 30 C LIG 1 3.884 0.213 0.312 0.00 0.00 +0.013 A ATOM 31 C LIG 1 2.787 0.146 -0.550 0.00 0.00 +0.006 A BRANCH 29 32 ATOM 32 C LIG 1 5.006 -0.272 2.522 0.00 0.00 +0.417 C ATOM 33 F LIG 1 6.207 -0.303 1.878 0.00 0.00 -0.166 F ATOM 34 F LIG 1 5.053 -1.280 3.438 0.00 0.00 -0.166 F ATOM 35 F LIG 1 4.997 0.885 3.240 0.00 0.00 -0.166 F ENDBRANCH 29 32 ENDBRANCH 25 26 ENDBRANCH 8 25 TORSDOF 8