REMARK Name = BDB017435 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.563 -0.544 1.050 0.00 0.00 -0.041 A ATOM 2 C LIG 1 -2.151 -0.707 -0.286 0.00 0.00 +0.031 A ATOM 3 C LIG 1 -0.795 -0.934 -0.549 0.00 0.00 +0.067 A ATOM 4 C LIG 1 0.169 -1.034 0.445 0.00 0.00 +0.027 A ATOM 5 C LIG 1 1.398 -1.278 -0.250 0.00 0.00 +0.100 A ATOM 6 N LIG 1 1.203 -1.291 -1.580 0.00 0.00 -0.173 NA ATOM 7 C LIG 1 -0.237 -0.875 1.782 0.00 0.00 +0.012 A ATOM 8 N LIG 1 -0.116 -1.092 -1.723 0.00 0.00 -0.276 N ATOM 9 H LIG 1 -0.496 -1.067 -2.662 0.00 0.00 +0.189 HD ATOM 10 C LIG 1 -1.593 -0.639 2.061 0.00 0.00 +0.005 A ENDROOT BRANCH 1 15 ATOM 11 C LIG 1 -8.473 0.096 0.040 0.00 0.00 +0.120 A ATOM 12 C LIG 1 -7.261 -0.033 0.734 0.00 0.00 +0.052 A ATOM 13 C LIG 1 -6.189 0.774 0.385 0.00 0.00 -0.007 A ATOM 14 C LIG 1 -4.784 0.896 0.904 0.00 0.00 +0.081 C ATOM 15 C LIG 1 -4.021 -0.322 1.383 0.00 0.00 +0.040 C ATOM 16 C LIG 1 -4.186 2.012 0.076 0.00 0.00 +0.228 C ATOM 17 N LIG 1 -5.158 2.410 -0.828 0.00 0.00 -0.284 N ATOM 18 H LIG 1 -5.011 3.162 -1.483 0.00 0.00 +0.155 HD ATOM 19 O LIG 1 -3.071 2.488 0.204 0.00 0.00 -0.274 OA ATOM 20 C LIG 1 -4.439 0.761 2.358 0.00 0.00 +0.031 C ATOM 21 C LIG 1 -6.347 1.701 -0.653 0.00 0.00 +0.038 A ATOM 22 C LIG 1 -7.522 1.857 -1.356 0.00 0.00 +0.027 A ATOM 23 C LIG 1 -8.598 1.037 -0.999 0.00 0.00 +0.047 A BRANCH 11 25 ATOM 24 C LIG 1 -10.717 -0.667 -0.185 0.00 0.00 +0.277 C ATOM 25 O LIG 1 -9.459 -0.752 0.471 0.00 0.00 -0.495 OA ENDBRANCH 11 25 ENDBRANCH 1 15 BRANCH 5 26 ATOM 26 C LIG 1 2.733 -1.485 0.309 0.00 0.00 +0.007 A ATOM 27 C LIG 1 3.850 -0.913 -0.312 0.00 0.00 +0.053 A ATOM 28 C LIG 1 5.125 -1.094 0.221 0.00 0.00 +0.122 A ATOM 29 N LIG 1 5.298 -1.857 1.324 0.00 0.00 -0.240 NA ATOM 30 C LIG 1 4.216 -2.420 1.903 0.00 0.00 +0.113 A ATOM 31 C LIG 1 2.925 -2.264 1.443 0.00 0.00 +0.030 A BRANCH 28 32 ATOM 32 N LIG 1 6.244 -0.535 -0.385 0.00 0.00 -0.313 N ATOM 33 C LIG 1 7.549 -0.890 0.193 0.00 0.00 +0.122 C ATOM 34 C LIG 1 8.678 -0.365 -0.723 0.00 0.00 +0.103 C ATOM 35 N LIG 1 8.693 1.107 -0.894 0.00 0.00 -0.302 NA ATOM 36 C LIG 1 9.193 1.465 -2.218 0.00 0.00 +0.105 C ATOM 37 C LIG 1 7.361 1.692 -0.633 0.00 0.00 +0.103 C ATOM 38 C LIG 1 6.144 0.803 -0.990 0.00 0.00 +0.122 C ENDBRANCH 28 32 ENDBRANCH 5 26 TORSDOF 4