REMARK Name = BDB021487 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.649 1.115 -0.897 0.00 0.00 +0.124 A ATOM 2 C LIG 1 2.008 0.027 -1.482 0.00 0.00 +0.092 A ATOM 3 C LIG 1 0.709 0.130 -2.033 0.00 0.00 +0.136 A ATOM 4 O LIG 1 0.317 -1.074 -2.543 0.00 0.00 -0.490 OA ATOM 5 C LIG 1 -0.870 -1.145 -3.313 0.00 0.00 +0.248 C ATOM 6 C LIG 1 -2.075 -0.713 -2.501 0.00 0.00 +0.149 C ATOM 7 N LIG 1 -2.316 0.706 -2.699 0.00 0.00 -0.292 N ATOM 8 C LIG 1 -1.351 1.681 -2.471 0.00 0.00 +0.250 C ATOM 9 O LIG 1 -1.643 2.871 -2.633 0.00 0.00 -0.270 OA ATOM 10 C LIG 1 0.027 1.352 -1.980 0.00 0.00 +0.079 A ATOM 11 C LIG 1 0.693 2.444 -1.378 0.00 0.00 +0.020 A ATOM 12 C LIG 1 1.978 2.328 -0.844 0.00 0.00 +0.046 A ENDROOT BRANCH 1 13 ATOM 13 O LIG 1 3.891 1.123 -0.332 0.00 0.00 -0.489 OA BRANCH 13 19 ATOM 14 C LIG 1 9.087 -2.453 0.931 0.00 0.00 +0.109 C ATOM 15 C LIG 1 7.756 -2.253 1.614 0.00 0.00 +0.212 C ATOM 16 N LIG 1 6.862 -1.385 1.000 0.00 0.00 -0.301 N ATOM 17 C LIG 1 5.548 -1.176 1.605 0.00 0.00 +0.111 C ATOM 18 C LIG 1 4.457 -1.089 0.544 0.00 0.00 +0.063 C ATOM 19 C LIG 1 4.747 -0.013 -0.516 0.00 0.00 +0.176 C ATOM 20 C LIG 1 6.185 0.513 -0.436 0.00 0.00 +0.063 C ATOM 21 C LIG 1 7.175 -0.615 -0.202 0.00 0.00 +0.111 C ATOM 22 O LIG 1 7.504 -2.841 2.665 0.00 0.00 -0.276 OA ENDBRANCH 13 19 ENDBRANCH 1 13 BRANCH 7 23 ATOM 23 C LIG 1 -3.686 1.138 -3.028 0.00 0.00 +0.140 C BRANCH 23 24 ATOM 24 C LIG 1 -4.531 1.592 -1.811 0.00 0.00 +0.146 C BRANCH 24 25 ATOM 25 O LIG 1 -3.924 2.707 -1.143 0.00 0.00 -0.389 OA ATOM 26 H LIG 1 -3.220 3.065 -1.725 0.00 0.00 +0.210 HD ENDBRANCH 24 25 BRANCH 24 27 ATOM 27 C LIG 1 -4.765 0.431 -0.813 0.00 0.00 +0.117 C BRANCH 27 28 ATOM 28 N LIG 1 -5.947 0.586 0.067 0.00 0.00 -0.295 NA ATOM 29 C LIG 1 -6.151 -0.616 0.901 0.00 0.00 +0.120 C ATOM 30 C LIG 1 -5.210 -0.745 2.081 0.00 0.00 -0.030 A ATOM 31 C LIG 1 -4.571 0.386 2.621 0.00 0.00 -0.042 A ATOM 32 C LIG 1 -3.730 0.246 3.733 0.00 0.00 +0.004 A ATOM 33 C LIG 1 -3.544 -1.004 4.322 0.00 0.00 +0.000 A ATOM 34 C LIG 1 -4.191 -2.123 3.803 0.00 0.00 +0.000 A ATOM 35 C LIG 1 -4.736 1.738 1.968 0.00 0.00 +0.051 C ATOM 36 C LIG 1 -5.024 -1.994 2.690 0.00 0.00 +0.005 A ATOM 37 C LIG 1 -5.887 1.765 0.950 0.00 0.00 +0.089 C ENDBRANCH 27 28 ENDBRANCH 24 27 ENDBRANCH 23 24 ENDBRANCH 7 23 TORSDOF 7