REMARK Name = BDB014104 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 0.112 -0.535 -0.297 0.00 0.00 -0.253 N ATOM 2 C LIG 1 -0.709 0.641 -0.766 0.00 0.00 +0.161 C ATOM 3 C LIG 1 -2.047 0.039 -0.700 0.00 0.00 +0.076 A ATOM 4 C LIG 1 -2.054 -1.240 -0.245 0.00 0.00 +0.083 A ATOM 5 C LIG 1 -3.387 -1.618 -0.236 0.00 0.00 +0.079 A ATOM 6 N LIG 1 -4.182 -0.624 -0.673 0.00 0.00 -0.175 NA ATOM 7 N LIG 1 -3.325 0.394 -0.946 0.00 0.00 -0.268 N ATOM 8 C LIG 1 -3.836 1.655 -1.419 0.00 0.00 +0.172 C ATOM 9 C LIG 1 -0.719 -1.659 0.033 0.00 0.00 +0.255 C ATOM 10 O LIG 1 -0.408 -2.763 0.446 0.00 0.00 -0.269 OA ENDROOT BRANCH 1 18 ATOM 11 C LIG 1 3.631 0.661 -0.745 0.00 0.00 +0.166 A ATOM 12 C LIG 1 4.357 -0.432 -0.192 0.00 0.00 +0.203 A ATOM 13 N LIG 1 3.622 -1.502 0.283 0.00 0.00 -0.282 N ATOM 14 C LIG 1 4.555 -2.403 0.749 0.00 0.00 +0.135 A ATOM 15 N LIG 1 5.764 -1.911 0.569 0.00 0.00 -0.134 NA ATOM 16 C LIG 1 4.221 -3.712 1.352 0.00 0.00 +0.088 C ATOM 17 C LIG 1 2.231 -1.561 0.256 0.00 0.00 +0.118 A ATOM 18 C LIG 1 1.509 -0.540 -0.254 0.00 0.00 +0.058 A ATOM 19 N LIG 1 5.640 -0.675 -0.021 0.00 0.00 -0.126 NA ATOM 20 C LIG 1 2.279 0.601 -0.781 0.00 0.00 +0.074 A BRANCH 11 22 ATOM 21 C LIG 1 3.810 2.860 -1.688 0.00 0.00 +0.277 C ATOM 22 O LIG 1 4.433 1.681 -1.199 0.00 0.00 -0.491 OA ENDBRANCH 11 22 ENDBRANCH 1 18 BRANCH 2 23 ATOM 23 C LIG 1 -0.592 1.879 0.107 0.00 0.00 -0.021 A ATOM 24 C LIG 1 -0.573 1.798 1.511 0.00 0.00 +0.007 A ATOM 25 C LIG 1 -0.478 2.954 2.291 0.00 0.00 +0.020 A ATOM 26 C LIG 1 -0.408 4.201 1.677 0.00 0.00 +0.041 A ATOM 27 CL LIG 1 -0.292 5.623 2.636 0.00 0.00 -0.084 Cl ATOM 28 C LIG 1 -0.436 4.303 0.288 0.00 0.00 +0.020 A ATOM 29 C LIG 1 -0.531 3.149 -0.493 0.00 0.00 +0.007 A ENDBRANCH 2 23 BRANCH 5 30 ATOM 30 C LIG 1 -3.917 -3.004 0.202 0.00 0.00 +0.040 C ATOM 31 C LIG 1 -3.749 -3.437 1.636 0.00 0.00 +0.010 C ATOM 32 C LIG 1 -5.111 -3.083 1.117 0.00 0.00 +0.010 C ENDBRANCH 5 30 TORSDOF 4