REMARK Name = BDB022862 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.831 0.486 -4.734 0.00 0.00 +0.028 C ATOM 2 C LIG 1 -1.198 0.932 -3.401 0.00 0.00 +0.078 C ATOM 3 N LIG 1 -1.730 0.217 -2.211 0.00 0.00 -0.292 N ATOM 4 C LIG 1 -3.124 0.118 -2.076 0.00 0.00 +0.220 C ATOM 5 O LIG 1 -3.894 0.729 -2.822 0.00 0.00 -0.275 OA ATOM 6 C LIG 1 -0.969 0.386 -0.966 0.00 0.00 +0.163 C ATOM 7 C LIG 1 0.493 0.730 -1.076 0.00 0.00 +0.067 A ATOM 8 C LIG 1 1.083 0.917 -2.303 0.00 0.00 -0.005 A ATOM 9 C LIG 1 2.423 1.226 -2.273 0.00 0.00 +0.120 A ATOM 10 N LIG 1 3.129 1.369 -1.138 0.00 0.00 -0.223 NA ATOM 11 C LIG 1 2.471 1.192 0.013 0.00 0.00 +0.216 A ATOM 12 N LIG 1 1.175 0.862 0.085 0.00 0.00 -0.218 NA ATOM 13 C LIG 1 0.323 0.711 -3.564 0.00 0.00 +0.060 C ENDROOT BRANCH 4 14 ATOM 14 C LIG 1 -3.733 -0.820 -1.019 0.00 0.00 +0.085 C ATOM 15 C LIG 1 -3.775 -0.303 0.433 0.00 0.00 +0.045 C ATOM 16 C LIG 1 -4.570 -1.303 1.318 0.00 0.00 +0.093 C ATOM 17 N LIG 1 -4.384 -2.720 0.953 0.00 0.00 -0.305 NA ATOM 18 C LIG 1 -4.544 -3.590 2.114 0.00 0.00 +0.104 C ATOM 19 C LIG 1 -3.129 -2.966 0.251 0.00 0.00 +0.085 C ATOM 20 C LIG 1 -3.145 -2.246 -1.101 0.00 0.00 +0.029 C BRANCH 15 21 ATOM 21 C LIG 1 -4.315 1.105 0.632 0.00 0.00 -0.042 A ATOM 22 C LIG 1 -5.450 1.572 -0.046 0.00 0.00 +0.004 A ATOM 23 C LIG 1 -5.928 2.866 0.171 0.00 0.00 +0.000 A ATOM 24 C LIG 1 -5.285 3.709 1.074 0.00 0.00 +0.000 A ATOM 25 C LIG 1 -4.164 3.257 1.764 0.00 0.00 +0.000 A ATOM 26 C LIG 1 -3.685 1.964 1.548 0.00 0.00 +0.004 A ENDBRANCH 15 21 ENDBRANCH 4 14 BRANCH 11 27 ATOM 27 N LIG 1 3.118 1.327 1.228 0.00 0.00 -0.310 N ATOM 28 H LIG 1 2.538 0.879 1.926 0.00 0.00 +0.149 HD BRANCH 27 29 ATOM 29 C LIG 1 4.545 1.027 1.268 0.00 0.00 +0.078 C ATOM 30 C LIG 1 4.798 -0.480 1.170 0.00 0.00 +0.056 C ATOM 31 C LIG 1 6.310 -0.782 1.237 0.00 0.00 +0.066 C ATOM 32 C LIG 1 6.943 -0.672 -0.156 0.00 0.00 +0.041 C ATOM 33 C LIG 1 6.551 -2.194 1.782 0.00 0.00 +0.041 C ATOM 34 O LIG 1 7.016 0.158 2.065 0.00 0.00 -0.374 OA ATOM 35 C LIG 1 6.241 0.695 3.129 0.00 0.00 +0.162 C ATOM 36 C LIG 1 5.123 1.573 2.583 0.00 0.00 +0.050 C ENDBRANCH 27 29 ENDBRANCH 11 27 TORSDOF 4