REMARK Name = BDB020850 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.572 -0.061 -0.725 0.00 0.00 +0.203 A ATOM 2 N LIG 1 0.249 -1.193 -0.723 0.00 0.00 -0.253 N ATOM 3 C LIG 1 1.618 -1.129 -0.797 0.00 0.00 +0.173 A ATOM 4 N LIG 1 2.111 -2.351 -0.747 0.00 0.00 -0.129 NA ATOM 5 N LIG 1 1.051 -3.231 -0.677 0.00 0.00 -0.137 NA ATOM 6 C LIG 1 2.200 0.164 -0.905 0.00 0.00 +0.045 A ATOM 7 C LIG 1 1.336 1.204 -0.931 0.00 0.00 +0.126 A ATOM 8 C LIG 1 -0.056 -2.522 -0.688 0.00 0.00 +0.232 A ATOM 9 N LIG 1 -0.042 1.126 -0.847 0.00 0.00 -0.223 NA ENDROOT BRANCH 6 10 ATOM 10 C LIG 1 3.639 0.404 -1.012 0.00 0.00 -0.003 C ATOM 11 C LIG 1 4.597 0.321 0.112 0.00 0.00 +0.024 A ATOM 12 C LIG 1 5.896 0.823 -0.052 0.00 0.00 +0.129 A ATOM 13 C LIG 1 6.809 0.815 1.004 0.00 0.00 +0.046 A ATOM 14 C LIG 1 6.448 0.275 2.236 0.00 0.00 +0.004 A ATOM 15 C LIG 1 5.170 -0.249 2.411 0.00 0.00 +0.001 A ATOM 16 O LIG 1 6.339 1.388 -1.218 0.00 0.00 -0.487 OA ATOM 17 C LIG 1 5.633 0.992 -2.397 0.00 0.00 +0.257 C ATOM 18 C LIG 1 4.249 -0.223 1.358 0.00 0.00 +0.012 A ATOM 19 C LIG 1 4.174 0.725 -2.203 0.00 0.00 +0.023 C ENDBRANCH 6 10 BRANCH 1 20 ATOM 20 N LIG 1 -1.939 -0.183 -0.625 0.00 0.00 -0.310 N ATOM 21 H LIG 1 -2.347 0.707 -0.907 0.00 0.00 +0.149 HD BRANCH 20 22 ATOM 22 C LIG 1 -2.523 -0.563 0.658 0.00 0.00 +0.143 C BRANCH 22 25 ATOM 23 F LIG 1 -3.699 -3.063 0.092 0.00 0.00 -0.205 F ATOM 24 C LIG 1 -4.528 -2.015 0.210 0.00 0.00 +0.129 A ATOM 25 C LIG 1 -4.001 -0.748 0.497 0.00 0.00 +0.012 A ATOM 26 C LIG 1 -4.907 0.304 0.593 0.00 0.00 +0.005 A ATOM 27 C LIG 1 -4.691 1.732 0.930 0.00 0.00 +0.080 C ATOM 28 C LIG 1 -6.063 2.289 0.550 0.00 0.00 +0.234 C ATOM 29 O LIG 1 -7.032 1.217 0.583 0.00 0.00 -0.491 OA ATOM 30 C LIG 1 -6.271 0.087 0.435 0.00 0.00 +0.124 A ATOM 31 C LIG 1 -6.795 -1.163 0.174 0.00 0.00 +0.049 A ATOM 32 C LIG 1 -5.904 -2.229 0.053 0.00 0.00 +0.042 A ENDBRANCH 22 25 ENDBRANCH 20 22 ENDBRANCH 1 20 TORSDOF 4