REMARK Name = BDB003281 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.676 -0.472 -0.347 0.00 0.00 -0.015 A ATOM 2 C LIG 1 1.850 0.396 0.386 0.00 0.00 +0.015 A ATOM 3 C LIG 1 0.584 -0.001 0.869 0.00 0.00 -0.006 A ATOM 4 C LIG 1 0.141 -1.317 0.633 0.00 0.00 +0.035 A ATOM 5 C LIG 1 0.963 -2.186 -0.098 0.00 0.00 +0.024 A ATOM 6 C LIG 1 2.207 -1.771 -0.581 0.00 0.00 +0.010 A ENDROOT BRANCH 1 11 ATOM 7 C LIG 1 6.515 0.819 -1.844 0.00 0.00 +0.158 A ATOM 8 C LIG 1 5.594 0.170 -2.671 0.00 0.00 +0.166 A ATOM 9 F LIG 1 5.893 -0.064 -3.958 0.00 0.00 -0.202 F ATOM 10 C LIG 1 4.351 -0.249 -2.194 0.00 0.00 +0.053 A ATOM 11 C LIG 1 3.987 -0.031 -0.857 0.00 0.00 +0.020 A ATOM 12 C LIG 1 4.923 0.624 -0.038 0.00 0.00 +0.135 A ATOM 13 F LIG 1 4.640 0.859 1.253 0.00 0.00 -0.205 F ATOM 14 C LIG 1 6.169 1.045 -0.515 0.00 0.00 +0.087 A BRANCH 7 16 ATOM 15 C LIG 1 8.649 1.854 -1.622 0.00 0.00 +0.277 C ATOM 16 O LIG 1 7.697 1.177 -2.433 0.00 0.00 -0.492 OA ENDBRANCH 7 16 ENDBRANCH 1 11 BRANCH 4 17 ATOM 17 N LIG 1 -1.112 -1.718 1.125 0.00 0.00 -0.328 N ATOM 18 C LIG 1 -2.108 -1.909 0.048 0.00 0.00 +0.129 C ATOM 19 C LIG 1 -3.553 -1.964 0.665 0.00 0.00 +0.064 C ATOM 20 C LIG 1 -3.568 -3.097 1.720 0.00 0.00 +0.028 C ATOM 21 C LIG 1 -2.428 -2.981 2.743 0.00 0.00 +0.021 C ATOM 22 C LIG 1 -1.064 -2.844 2.067 0.00 0.00 +0.105 C BRANCH 19 23 ATOM 23 N LIG 1 -3.847 -0.686 1.370 0.00 0.00 -0.321 NA ATOM 24 H LIG 1 -4.824 -0.414 1.367 0.00 0.00 +0.119 HD ATOM 25 H LIG 1 -3.276 0.072 0.983 0.00 0.00 +0.119 HD ENDBRANCH 19 23 BRANCH 19 26 ATOM 26 C LIG 1 -4.559 -2.203 -0.508 0.00 0.00 +0.202 C BRANCH 26 27 ATOM 27 C LIG 1 -5.982 -2.587 -0.080 0.00 0.00 +0.371 C ATOM 28 F LIG 1 -5.984 -3.778 0.570 0.00 0.00 -0.206 F ATOM 29 F LIG 1 -6.754 -2.774 -1.185 0.00 0.00 -0.206 F ENDBRANCH 26 27 BRANCH 26 30 ATOM 30 O LIG 1 -4.589 -1.017 -1.336 0.00 0.00 -0.384 OA ATOM 31 H LIG 1 -4.513 -0.254 -0.735 0.00 0.00 +0.210 HD ENDBRANCH 26 30 ENDBRANCH 19 26 ENDBRANCH 4 17 BRANCH 3 32 ATOM 32 C LIG 1 -0.251 0.963 1.686 0.00 0.00 +0.161 C BRANCH 32 33 ATOM 33 N LIG 1 -0.497 2.218 0.997 0.00 0.00 -0.310 N ATOM 34 C LIG 1 -1.411 2.453 0.004 0.00 0.00 +0.166 A ATOM 35 C LIG 1 -1.246 3.795 -0.310 0.00 0.00 +0.147 A ATOM 36 C LIG 1 -2.047 4.308 -1.345 0.00 0.00 +0.147 A ATOM 37 N LIG 1 -2.886 3.468 -1.989 0.00 0.00 -0.219 NA ATOM 38 C LIG 1 -2.945 2.184 -1.577 0.00 0.00 +0.225 A ATOM 39 N LIG 1 -0.282 4.378 0.487 0.00 0.00 -0.231 NA ATOM 40 N LIG 1 -2.272 1.589 -0.567 0.00 0.00 -0.216 NA ATOM 41 C LIG 1 0.133 3.406 1.270 0.00 0.00 +0.202 A BRANCH 36 42 ATOM 42 N LIG 1 -1.996 5.632 -1.761 0.00 0.00 -0.341 N ATOM 43 H LIG 1 -2.317 5.742 -2.713 0.00 0.00 +0.144 HD ATOM 44 H LIG 1 -1.135 6.100 -1.497 0.00 0.00 +0.144 HD ENDBRANCH 36 42 ENDBRANCH 32 33 ENDBRANCH 3 32 TORSDOF 10