REMARK Name = BDB036202 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -1.814 -0.128 -0.299 0.00 0.00 -0.326 N ATOM 2 C LIG 1 -0.815 -0.541 0.704 0.00 0.00 +0.120 C ATOM 3 C LIG 1 0.599 -0.468 0.084 0.00 0.00 +0.103 C ATOM 4 N LIG 1 1.005 0.902 -0.314 0.00 0.00 -0.295 NA ATOM 5 C LIG 1 -0.175 1.750 -0.592 0.00 0.00 +0.103 C ATOM 6 C LIG 1 -1.416 1.014 -1.153 0.00 0.00 +0.120 C ENDROOT BRANCH 1 11 ATOM 7 C LIG 1 -5.900 -0.544 0.465 0.00 0.00 +0.126 A ATOM 8 N LIG 1 -5.480 -0.550 -0.819 0.00 0.00 -0.245 NA ATOM 9 C LIG 1 -4.143 -0.440 -1.053 0.00 0.00 +0.060 A ATOM 10 C LIG 1 -3.763 -0.547 -2.503 0.00 0.00 +0.067 C ATOM 11 C LIG 1 -3.175 -0.279 -0.035 0.00 0.00 +0.051 A ATOM 12 C LIG 1 -3.670 -0.299 1.278 0.00 0.00 +0.027 A ATOM 13 C LIG 1 -5.034 -0.431 1.540 0.00 0.00 +0.035 A BRANCH 7 17 ATOM 14 C LIG 1 -9.328 0.156 1.917 0.00 0.00 +0.128 C ATOM 15 N LIG 1 -7.902 0.098 1.716 0.00 0.00 -0.313 N ATOM 16 H LIG 1 -7.347 0.870 2.060 0.00 0.00 +0.149 HD ATOM 17 C LIG 1 -7.378 -0.672 0.685 0.00 0.00 +0.262 C ATOM 18 O LIG 1 -8.069 -1.402 -0.018 0.00 0.00 -0.269 OA ENDBRANCH 7 17 ENDBRANCH 1 11 BRANCH 4 19 ATOM 19 C LIG 1 1.947 0.894 -1.442 0.00 0.00 +0.122 C BRANCH 19 20 ATOM 20 C LIG 1 3.286 0.292 -1.089 0.00 0.00 +0.004 A ATOM 21 C LIG 1 4.223 1.029 -0.358 0.00 0.00 +0.153 A ATOM 22 F LIG 1 3.947 2.293 0.005 0.00 0.00 -0.203 F ATOM 23 C LIG 1 5.456 0.477 -0.008 0.00 0.00 +0.104 A ATOM 24 C LIG 1 5.782 -0.831 -0.385 0.00 0.00 +0.090 A ATOM 25 N LIG 1 7.013 -1.426 -0.053 0.00 0.00 -0.245 NA ATOM 26 C LIG 1 7.869 -0.720 0.629 0.00 0.00 +0.103 A ATOM 27 C LIG 1 7.600 0.714 1.084 0.00 0.00 +0.270 A ATOM 28 O LIG 1 8.436 1.333 1.724 0.00 0.00 -0.266 OA ATOM 29 C LIG 1 9.197 -1.304 1.011 0.00 0.00 +0.071 C ATOM 30 C LIG 1 4.852 -1.571 -1.117 0.00 0.00 +0.030 A ATOM 31 N LIG 1 6.382 1.230 0.724 0.00 0.00 -0.317 N ATOM 32 H LIG 1 6.158 2.175 1.006 0.00 0.00 +0.169 HD ATOM 33 C LIG 1 3.615 -1.018 -1.468 0.00 0.00 +0.010 A ENDBRANCH 19 20 ENDBRANCH 4 19 TORSDOF 4