REMARK Name = BDB016208 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.503 -1.421 -0.774 0.00 0.00 +0.022 A ATOM 2 C LIG 1 1.798 -2.480 0.111 0.00 0.00 +0.036 A ATOM 3 C LIG 1 0.717 -3.024 0.816 0.00 0.00 +0.024 A ATOM 4 C LIG 1 -0.595 -2.572 0.611 0.00 0.00 +0.010 A ATOM 5 C LIG 1 -0.873 -1.544 -0.298 0.00 0.00 -0.015 A ATOM 6 C LIG 1 0.193 -0.973 -0.998 0.00 0.00 +0.020 A ENDROOT BRANCH 5 7 ATOM 7 C LIG 1 -2.250 -1.056 -0.493 0.00 0.00 +0.005 A ATOM 8 C LIG 1 -2.851 -0.097 0.392 0.00 0.00 +0.059 A ATOM 9 N LIG 1 -2.076 0.350 1.482 0.00 0.00 -0.339 N ATOM 10 H LIG 1 -1.079 0.266 1.284 0.00 0.00 +0.146 HD ATOM 11 C LIG 1 -2.389 1.626 2.113 0.00 0.00 +0.076 C ATOM 12 C LIG 1 -3.620 1.452 2.974 0.00 0.00 +0.118 C ATOM 13 C LIG 1 -4.857 1.676 2.167 0.00 0.00 +0.219 C ATOM 14 N LIG 1 -5.019 1.095 0.954 0.00 0.00 -0.282 N ATOM 15 H LIG 1 -5.945 1.275 0.576 0.00 0.00 +0.155 HD ATOM 16 O LIG 1 -5.782 2.358 2.619 0.00 0.00 -0.275 OA ATOM 17 C LIG 1 -1.196 2.033 2.985 0.00 0.00 +0.028 C ATOM 18 C LIG 1 -4.202 0.255 0.166 0.00 0.00 +0.091 A ATOM 19 C LIG 1 -4.862 -0.261 -0.969 0.00 0.00 +0.146 A ATOM 20 F LIG 1 -6.134 0.100 -1.206 0.00 0.00 -0.203 F ATOM 21 C LIG 1 -4.261 -1.147 -1.848 0.00 0.00 +0.041 A ATOM 22 C LIG 1 -2.961 -1.555 -1.603 0.00 0.00 +0.013 A ENDBRANCH 5 7 BRANCH 1 23 ATOM 23 C LIG 1 2.595 -0.741 -1.509 0.00 0.00 +0.074 C ATOM 24 N LIG 1 3.278 -1.380 -2.410 0.00 0.00 -0.298 NA ATOM 25 H LIG 1 2.915 -2.335 -2.523 0.00 0.00 +0.187 HD BRANCH 23 27 ATOM 26 C LIG 1 3.545 1.463 -1.978 0.00 0.00 +0.078 C ATOM 27 C LIG 1 2.850 0.685 -1.129 0.00 0.00 +0.031 C BRANCH 26 29 ATOM 28 C LIG 1 4.949 3.401 -2.669 0.00 0.00 +0.125 C ATOM 29 N LIG 1 3.938 2.783 -1.834 0.00 0.00 -0.352 N ATOM 30 H LIG 1 3.951 3.104 -0.863 0.00 0.00 +0.145 HD ENDBRANCH 26 29 BRANCH 27 31 ATOM 31 C LIG 1 2.386 1.246 0.167 0.00 0.00 +0.112 C ATOM 32 N LIG 1 1.917 2.437 0.354 0.00 0.00 -0.307 NA ATOM 33 H LIG 1 1.913 2.941 -0.547 0.00 0.00 +0.186 HD ENDBRANCH 27 31 ENDBRANCH 23 27 ENDBRANCH 1 23 BRANCH 2 34 ATOM 34 N LIG 1 3.126 -2.839 0.378 0.00 0.00 -0.346 N ATOM 35 H LIG 1 3.760 -2.605 -0.390 0.00 0.00 +0.146 HD ATOM 36 C LIG 1 3.426 -4.130 0.973 0.00 0.00 +0.125 C ENDBRANCH 2 34 TORSDOF 6