REMARK Name = BDB053755 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.043 -1.117 1.323 0.00 0.00 +0.125 A ATOM 2 C LIG 1 0.289 -2.281 0.591 0.00 0.00 +0.105 A ATOM 3 C LIG 1 -0.774 -2.588 -0.259 0.00 0.00 +0.076 A ATOM 4 C LIG 1 -0.721 -3.746 -1.054 0.00 0.00 +0.030 A ATOM 5 C LIG 1 0.436 -4.515 -0.981 0.00 0.00 +0.022 A ATOM 6 C LIG 1 1.449 -4.120 -0.128 0.00 0.00 +0.111 A ATOM 7 N LIG 1 -1.774 -1.644 -0.026 0.00 0.00 -0.278 N ATOM 8 N LIG 1 1.419 -3.032 0.663 0.00 0.00 -0.253 NA ATOM 9 C LIG 1 -1.295 -0.702 0.885 0.00 0.00 +0.221 A ENDROOT BRANCH 1 16 ATOM 10 C LIG 1 3.722 0.997 0.614 0.00 0.00 +0.071 C ATOM 11 N LIG 1 4.754 1.076 1.671 0.00 0.00 -0.310 NA ATOM 12 H LIG 1 5.600 0.587 1.382 0.00 0.00 +0.122 HD ATOM 13 C LIG 1 4.301 0.510 2.953 0.00 0.00 +0.100 C ATOM 14 C LIG 1 2.784 0.576 3.183 0.00 0.00 +0.123 C ATOM 15 N LIG 1 2.036 -0.082 2.113 0.00 0.00 -0.295 N ATOM 16 C LIG 1 0.711 -0.436 2.363 0.00 0.00 +0.254 C ATOM 17 O LIG 1 0.171 -0.160 3.435 0.00 0.00 -0.270 OA ATOM 18 C LIG 1 2.715 -0.166 0.816 0.00 0.00 +0.126 C BRANCH 10 19 ATOM 19 C LIG 1 4.366 0.901 -0.782 0.00 0.00 +0.020 C BRANCH 19 21 ATOM 20 C LIG 1 5.783 2.011 -2.547 0.00 0.00 +0.004 C ATOM 21 C LIG 1 5.231 2.115 -1.134 0.00 0.00 -0.002 C ENDBRANCH 19 21 ENDBRANCH 10 19 ENDBRANCH 1 16 BRANCH 7 22 ATOM 22 C LIG 1 -3.084 -1.702 -0.582 0.00 0.00 +0.050 A ATOM 23 C LIG 1 -3.263 -1.944 -1.949 0.00 0.00 +0.026 A ATOM 24 C LIG 1 -4.553 -2.009 -2.478 0.00 0.00 +0.002 A ATOM 25 C LIG 1 -5.660 -1.839 -1.647 0.00 0.00 +0.000 A ATOM 26 C LIG 1 -5.481 -1.603 -0.285 0.00 0.00 +0.002 A ATOM 27 C LIG 1 -4.195 -1.534 0.251 0.00 0.00 +0.026 A ENDBRANCH 7 22 BRANCH 9 28 ATOM 28 O LIG 1 -1.950 0.405 1.264 0.00 0.00 -0.438 OA BRANCH 28 29 ATOM 29 C LIG 1 -2.508 1.312 0.383 0.00 0.00 +0.136 A ATOM 30 C LIG 1 -1.903 1.735 -0.818 0.00 0.00 -0.008 A ATOM 31 C LIG 1 -0.524 1.325 -1.246 0.00 0.00 +0.047 C ATOM 32 C LIG 1 -2.611 2.613 -1.658 0.00 0.00 +0.007 A ATOM 33 C LIG 1 -3.858 3.111 -1.291 0.00 0.00 +0.001 A ATOM 34 C LIG 1 -4.410 2.759 -0.065 0.00 0.00 +0.007 A ATOM 35 C LIG 1 -3.733 1.882 0.795 0.00 0.00 -0.008 A ATOM 36 C LIG 1 -4.368 1.551 2.119 0.00 0.00 +0.047 C ENDBRANCH 28 29 ENDBRANCH 9 28 TORSDOF 6