REMARK Name = BDB032808 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.497 -0.791 -1.959 0.00 0.00 -0.010 A ATOM 2 C LIG 1 -1.341 0.173 -1.387 0.00 0.00 +0.020 A ATOM 3 C LIG 1 -2.643 -0.195 -1.110 0.00 0.00 +0.042 A ATOM 4 C LIG 1 -3.722 0.601 -0.514 0.00 0.00 +0.248 C ATOM 5 N LIG 1 -4.857 -0.196 -0.514 0.00 0.00 -0.282 N ATOM 6 C LIG 1 -4.561 -1.561 -0.929 0.00 0.00 +0.144 C ATOM 7 O LIG 1 -3.594 1.735 -0.096 0.00 0.00 -0.270 OA ATOM 8 C LIG 1 -3.138 -1.472 -1.365 0.00 0.00 -0.018 A ATOM 9 C LIG 1 -2.318 -2.438 -1.918 0.00 0.00 +0.006 A ATOM 10 C LIG 1 -0.993 -2.091 -2.213 0.00 0.00 +0.007 A ENDROOT BRANCH 5 11 ATOM 11 C LIG 1 -6.091 0.130 0.193 0.00 0.00 +0.163 C ATOM 12 C LIG 1 -5.928 -0.054 1.710 0.00 0.00 +0.240 C ATOM 13 O LIG 1 -5.182 -0.891 2.216 0.00 0.00 -0.273 OA ATOM 14 N LIG 1 -6.766 0.697 2.501 0.00 0.00 -0.255 N ATOM 15 H LIG 1 -6.682 0.549 3.498 0.00 0.00 +0.158 HD ATOM 16 C LIG 1 -7.774 1.538 2.102 0.00 0.00 +0.219 C ATOM 17 O LIG 1 -8.541 2.039 2.920 0.00 0.00 -0.275 OA ATOM 18 C LIG 1 -7.944 1.736 0.614 0.00 0.00 +0.098 C ATOM 19 C LIG 1 -6.631 1.524 -0.124 0.00 0.00 +0.041 C ENDBRANCH 5 11 BRANCH 1 20 ATOM 20 C LIG 1 0.942 -0.450 -2.259 0.00 0.00 +0.269 C BRANCH 20 21 ATOM 21 O LIG 1 1.661 -0.487 -1.025 0.00 0.00 -0.445 OA BRANCH 21 24 ATOM 22 N LIG 1 3.546 -0.279 0.090 0.00 0.00 -0.251 N ATOM 23 H LIG 1 2.868 -0.484 0.808 0.00 0.00 +0.158 HD ATOM 24 C LIG 1 2.989 -0.228 -1.155 0.00 0.00 +0.405 C ATOM 25 O LIG 1 3.532 0.004 -2.223 0.00 0.00 -0.226 OA BRANCH 22 28 ATOM 26 C LIG 1 4.208 -0.482 2.901 0.00 0.00 +0.045 C ATOM 27 C LIG 1 5.228 -0.178 1.836 0.00 0.00 -0.029 A ATOM 28 C LIG 1 4.889 -0.082 0.471 0.00 0.00 +0.043 A ATOM 29 C LIG 1 5.897 0.206 -0.458 0.00 0.00 +0.069 A ATOM 30 C LIG 1 7.228 0.399 -0.062 0.00 0.00 +0.132 A ATOM 31 C LIG 1 7.556 0.302 1.286 0.00 0.00 +0.046 A ATOM 32 C LIG 1 6.563 0.016 2.225 0.00 0.00 +0.009 A BRANCH 30 33 ATOM 33 O LIG 1 8.088 0.671 -1.088 0.00 0.00 -0.406 OA BRANCH 33 34 ATOM 34 C LIG 1 9.453 0.879 -0.772 0.00 0.00 +0.575 C ATOM 35 F LIG 1 9.609 1.939 0.050 0.00 0.00 -0.133 F ATOM 36 F LIG 1 9.994 -0.218 -0.198 0.00 0.00 -0.133 F ATOM 37 F LIG 1 10.131 1.131 -1.914 0.00 0.00 -0.133 F ENDBRANCH 33 34 ENDBRANCH 30 33 ENDBRANCH 22 28 ENDBRANCH 21 24 ENDBRANCH 20 21 ENDBRANCH 1 20 TORSDOF 7