REMARK Name = BDB027203 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.884 -0.642 0.082 0.00 0.00 +0.053 A ATOM 2 C LIG 1 -0.128 -0.104 -0.732 0.00 0.00 -0.003 A ATOM 3 C LIG 1 -1.462 -0.517 -0.544 0.00 0.00 +0.035 A ATOM 4 C LIG 1 -1.780 -1.447 0.441 0.00 0.00 +0.071 A ATOM 5 N LIG 1 -0.819 -1.987 1.221 0.00 0.00 -0.253 NA ATOM 6 C LIG 1 0.459 -1.573 1.032 0.00 0.00 +0.134 A ENDROOT BRANCH 4 7 ATOM 7 C LIG 1 -3.159 -1.906 0.708 0.00 0.00 +0.003 A ATOM 8 C LIG 1 -4.277 -1.076 0.496 0.00 0.00 +0.051 A ATOM 9 C LIG 1 -5.567 -1.537 0.757 0.00 0.00 +0.159 A ATOM 10 F LIG 1 -6.607 -0.720 0.541 0.00 0.00 -0.202 F ATOM 11 C LIG 1 -5.776 -2.822 1.237 0.00 0.00 +0.158 A ATOM 12 F LIG 1 -7.018 -3.258 1.484 0.00 0.00 -0.202 F ATOM 13 C LIG 1 -4.697 -3.663 1.466 0.00 0.00 +0.042 A ATOM 14 C LIG 1 -3.401 -3.205 1.206 0.00 0.00 +0.013 A ENDBRANCH 4 7 BRANCH 1 18 ATOM 15 C LIG 1 4.666 -1.692 0.561 0.00 0.00 +0.111 C ATOM 16 C LIG 1 3.759 -2.160 -0.599 0.00 0.00 +0.085 C ATOM 17 C LIG 1 2.950 -0.961 -1.144 0.00 0.00 +0.124 C ATOM 18 N LIG 1 2.213 -0.254 -0.087 0.00 0.00 -0.327 N ATOM 19 C LIG 1 2.991 0.146 1.091 0.00 0.00 +0.106 C ATOM 20 C LIG 1 3.844 -0.985 1.649 0.00 0.00 +0.039 C BRANCH 16 21 ATOM 21 N LIG 1 4.536 -2.794 -1.679 0.00 0.00 -0.325 NA ATOM 22 H LIG 1 3.909 -3.185 -2.384 0.00 0.00 +0.119 HD ATOM 23 H LIG 1 5.128 -2.117 -2.161 0.00 0.00 +0.119 HD ENDBRANCH 16 21 BRANCH 15 25 ATOM 24 N LIG 1 5.949 -3.690 1.707 0.00 0.00 -0.196 NA ATOM 25 C LIG 1 5.385 -2.826 1.176 0.00 0.00 +0.068 C ENDBRANCH 15 25 ENDBRANCH 1 18 BRANCH 2 26 ATOM 26 C LIG 1 0.145 0.976 -1.753 0.00 0.00 +0.161 C BRANCH 26 27 ATOM 27 N LIG 1 -0.015 2.295 -1.175 0.00 0.00 -0.310 N ATOM 28 C LIG 1 -1.164 3.035 -1.152 0.00 0.00 +0.166 A ATOM 29 C LIG 1 -0.804 4.227 -0.543 0.00 0.00 +0.147 A ATOM 30 C LIG 1 -1.818 5.187 -0.389 0.00 0.00 +0.147 A ATOM 31 N LIG 1 -3.064 4.885 -0.819 0.00 0.00 -0.219 NA ATOM 32 C LIG 1 -3.268 3.683 -1.402 0.00 0.00 +0.225 A ATOM 33 N LIG 1 0.533 4.218 -0.194 0.00 0.00 -0.231 NA ATOM 34 N LIG 1 -2.379 2.690 -1.613 0.00 0.00 -0.216 NA ATOM 35 C LIG 1 0.975 3.045 -0.597 0.00 0.00 +0.202 A BRANCH 30 36 ATOM 36 N LIG 1 -1.610 6.427 0.202 0.00 0.00 -0.341 N ATOM 37 H LIG 1 -2.467 6.824 0.564 0.00 0.00 +0.144 HD ATOM 38 H LIG 1 -0.789 6.456 0.795 0.00 0.00 +0.144 HD ENDBRANCH 30 36 ENDBRANCH 26 27 ENDBRANCH 2 26 TORSDOF 7