REMARK Name = BDB047885 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.128 -2.167 -1.161 0.00 0.00 +0.127 A ATOM 2 C LIG 1 0.848 -2.789 -1.210 0.00 0.00 +0.107 A ATOM 3 C LIG 1 1.125 -4.086 -1.580 0.00 0.00 +0.153 A ATOM 4 O LIG 1 2.461 -4.220 -1.788 0.00 0.00 -0.358 OA ATOM 5 N LIG 1 3.096 -3.024 -1.517 0.00 0.00 -0.077 NA ENDROOT BRANCH 1 10 ATOM 6 C LIG 1 3.066 1.742 0.286 0.00 0.00 -0.035 A ATOM 7 C LIG 1 2.708 1.565 -1.059 0.00 0.00 +0.024 A ATOM 8 C LIG 1 2.412 0.290 -1.556 0.00 0.00 +0.051 A ATOM 9 CL LIG 1 1.956 0.164 -3.220 0.00 0.00 -0.083 Cl ATOM 10 C LIG 1 2.460 -0.825 -0.710 0.00 0.00 +0.023 A ATOM 11 C LIG 1 2.821 -0.648 0.633 0.00 0.00 +0.012 A ATOM 12 C LIG 1 3.119 0.624 1.127 0.00 0.00 +0.005 A BRANCH 6 13 ATOM 13 C LIG 1 3.349 3.122 0.834 0.00 0.00 +0.155 C BRANCH 13 15 ATOM 14 O LIG 1 1.059 3.246 1.667 0.00 0.00 -0.251 OA ATOM 15 C LIG 1 2.162 3.753 1.534 0.00 0.00 +0.309 C BRANCH 15 16 ATOM 16 O LIG 1 2.443 4.985 2.024 0.00 0.00 -0.480 OA ATOM 17 H LIG 1 3.355 5.292 1.860 0.00 0.00 +0.295 HD ENDBRANCH 15 16 ENDBRANCH 13 15 ENDBRANCH 6 13 ENDBRANCH 1 10 BRANCH 2 18 ATOM 18 C LIG 1 -0.452 -2.249 -0.896 0.00 0.00 +0.250 C ATOM 19 N LIG 1 -0.750 -1.079 -1.556 0.00 0.00 -0.308 N ATOM 20 H LIG 1 -0.107 -0.719 -2.251 0.00 0.00 +0.149 HD ATOM 21 O LIG 1 -1.225 -2.797 -0.119 0.00 0.00 -0.270 OA BRANCH 19 22 ATOM 22 C LIG 1 -1.994 -0.368 -1.339 0.00 0.00 +0.145 C BRANCH 22 23 ATOM 23 C LIG 1 -1.920 0.594 -0.152 0.00 0.00 +0.248 C BRANCH 23 24 ATOM 24 O LIG 1 -3.152 1.313 -0.089 0.00 0.00 -0.489 OA BRANCH 24 25 ATOM 25 C LIG 1 -3.282 2.278 0.874 0.00 0.00 +0.139 A ATOM 26 C LIG 1 -4.511 2.959 0.928 0.00 0.00 +0.084 A ATOM 27 CL LIG 1 -5.794 2.583 -0.172 0.00 0.00 -0.080 Cl ATOM 28 C LIG 1 -4.735 3.966 1.870 0.00 0.00 +0.043 A ATOM 29 C LIG 1 -3.725 4.302 2.765 0.00 0.00 +0.043 A ATOM 30 CL LIG 1 -3.989 5.546 3.924 0.00 0.00 -0.083 Cl ATOM 31 C LIG 1 -2.502 3.640 2.727 0.00 0.00 +0.023 A ATOM 32 C LIG 1 -2.282 2.627 1.787 0.00 0.00 +0.048 A ENDBRANCH 24 25 ENDBRANCH 23 24 ENDBRANCH 22 23 ENDBRANCH 19 22 ENDBRANCH 2 18 BRANCH 3 33 ATOM 33 C LIG 1 0.098 -5.232 -1.777 0.00 0.00 +0.059 C ATOM 34 C LIG 1 -0.438 -5.945 -0.563 0.00 0.00 +0.012 C ATOM 35 C LIG 1 0.518 -6.649 -1.481 0.00 0.00 +0.012 C ENDBRANCH 3 33 TORSDOF 10