REMARK Name = BDB000918 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 3.144 2.735 -0.733 0.00 0.00 +0.083 A ATOM 2 C LIG 1 2.039 3.244 -1.484 0.00 0.00 +0.149 A ATOM 3 N LIG 1 2.340 4.416 -2.063 0.00 0.00 -0.169 NA ATOM 4 N LIG 1 3.633 4.601 -1.778 0.00 0.00 -0.282 N ATOM 5 H LIG 1 4.093 5.427 -2.147 0.00 0.00 +0.188 HD ATOM 6 C LIG 1 4.161 3.626 -0.990 0.00 0.00 +0.129 A ENDROOT BRANCH 2 7 ATOM 7 C LIG 1 0.619 2.590 -1.695 0.00 0.00 +0.161 A ATOM 8 N LIG 1 0.289 1.300 -1.363 0.00 0.00 -0.337 N ATOM 9 H LIG 1 0.925 0.597 -1.028 0.00 0.00 +0.167 HD ATOM 10 C LIG 1 -1.023 1.082 -1.691 0.00 0.00 +0.067 A ATOM 11 C LIG 1 -1.436 2.284 -2.247 0.00 0.00 +0.090 A ATOM 12 C LIG 1 -2.755 2.409 -2.704 0.00 0.00 +0.030 A ATOM 13 C LIG 1 -3.616 1.309 -2.583 0.00 0.00 +0.007 A ATOM 14 C LIG 1 -3.180 0.098 -2.020 0.00 0.00 -0.031 A ATOM 15 C LIG 1 -1.853 -0.034 -1.566 0.00 0.00 +0.032 A ATOM 16 N LIG 1 -0.411 3.194 -2.259 0.00 0.00 -0.226 NA BRANCH 14 17 ATOM 17 C LIG 1 -4.131 -1.080 -1.912 0.00 0.00 +0.119 C BRANCH 17 18 ATOM 18 N LIG 1 -4.322 -1.545 -0.528 0.00 0.00 -0.294 NA ATOM 19 C LIG 1 -4.978 -0.509 0.305 0.00 0.00 +0.113 C ATOM 20 C LIG 1 -5.707 -1.120 1.510 0.00 0.00 +0.175 C ATOM 21 O LIG 1 -6.787 -1.983 1.123 0.00 0.00 -0.377 OA ATOM 22 C LIG 1 -6.575 -2.615 -0.146 0.00 0.00 +0.175 C ATOM 23 C LIG 1 -5.088 -2.809 -0.481 0.00 0.00 +0.113 C ENDBRANCH 17 18 ENDBRANCH 14 17 ENDBRANCH 2 7 BRANCH 1 28 ATOM 24 O LIG 1 5.502 1.459 0.398 0.00 0.00 -0.252 OA ATOM 25 C LIG 1 4.360 1.124 0.684 0.00 0.00 +0.308 C ATOM 26 N LIG 1 4.035 0.176 1.644 0.00 0.00 -0.264 N ATOM 27 H LIG 1 3.244 0.418 2.228 0.00 0.00 +0.157 HD ATOM 28 N LIG 1 3.203 1.642 0.121 0.00 0.00 -0.266 N ATOM 29 H LIG 1 2.346 1.172 0.349 0.00 0.00 +0.156 HD BRANCH 26 30 ATOM 30 C LIG 1 4.971 -0.693 2.255 0.00 0.00 +0.106 A ATOM 31 C LIG 1 4.717 -1.098 3.569 0.00 0.00 +0.147 A ATOM 32 F LIG 1 3.620 -0.645 4.197 0.00 0.00 -0.203 F ATOM 33 C LIG 1 5.580 -1.952 4.253 0.00 0.00 +0.040 A ATOM 34 C LIG 1 6.720 -2.435 3.614 0.00 0.00 +0.006 A ATOM 35 C LIG 1 6.974 -2.071 2.291 0.00 0.00 +0.040 A ATOM 36 C LIG 1 6.100 -1.214 1.618 0.00 0.00 +0.147 A ATOM 37 F LIG 1 6.337 -0.980 0.320 0.00 0.00 -0.203 F ENDBRANCH 26 30 ENDBRANCH 1 28 TORSDOF 5