REMARK Name = BDB002274 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.921 -1.200 -0.252 0.00 0.00 -0.260 N ATOM 2 H LIG 1 -1.114 -1.499 -1.212 0.00 0.00 +0.170 HD ENDROOT BRANCH 1 5 ATOM 3 O LIG 1 -0.615 0.563 2.090 0.00 0.00 -0.267 OA ATOM 4 C LIG 1 -1.692 0.452 1.519 0.00 0.00 +0.284 C ATOM 5 C LIG 1 -1.911 -0.422 0.310 0.00 0.00 +0.117 C ATOM 6 C LIG 1 -3.189 -0.253 -0.032 0.00 0.00 +0.026 A ATOM 7 C LIG 1 -3.714 0.694 0.957 0.00 0.00 +0.066 A ATOM 8 C LIG 1 -5.134 1.077 0.834 0.00 0.00 +0.026 A ATOM 9 C LIG 1 -5.858 0.545 -0.166 0.00 0.00 +0.002 A ATOM 10 C LIG 1 -5.304 -0.393 -1.129 0.00 0.00 +0.001 A ATOM 11 C LIG 1 -4.019 -0.783 -1.071 0.00 0.00 +0.012 A ATOM 12 N LIG 1 -2.865 1.094 1.840 0.00 0.00 -0.175 NA ENDBRANCH 1 5 BRANCH 1 13 ATOM 13 N LIG 1 0.445 -0.930 -0.032 0.00 0.00 -0.248 N ATOM 14 H LIG 1 0.624 -0.444 0.850 0.00 0.00 +0.172 HD BRANCH 13 15 ATOM 15 C LIG 1 1.281 -0.663 -1.112 0.00 0.00 +0.149 C ATOM 16 S LIG 1 0.785 -0.903 -2.708 0.00 0.00 -0.017 S BRANCH 15 17 ATOM 17 N LIG 1 2.556 -0.220 -0.744 0.00 0.00 -0.307 N ATOM 18 C LIG 1 3.528 0.310 -1.720 0.00 0.00 +0.135 C ATOM 19 C LIG 1 4.538 1.244 -1.046 0.00 0.00 +0.179 C ATOM 20 O LIG 1 5.292 0.621 0.001 0.00 0.00 -0.377 OA ATOM 21 C LIG 1 4.606 -0.461 0.642 0.00 0.00 +0.179 C ATOM 22 C LIG 1 3.080 -0.316 0.631 0.00 0.00 +0.135 C ENDBRANCH 15 17 ENDBRANCH 13 15 ENDBRANCH 1 13 TORSDOF 4