REMARK Name = BDB034732 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -3.020 0.681 1.613 0.00 0.00 -0.288 N ATOM 2 C LIG 1 -1.838 0.198 1.024 0.00 0.00 +0.072 A ATOM 3 C LIG 1 -1.104 -0.455 2.015 0.00 0.00 +0.070 A ATOM 4 C LIG 1 0.112 -1.044 1.752 0.00 0.00 +0.030 A ATOM 5 C LIG 1 0.592 -0.959 0.439 0.00 0.00 +0.025 A ATOM 6 C LIG 1 -0.126 -0.288 -0.580 0.00 0.00 +0.034 A ATOM 7 N LIG 1 -1.823 -0.373 3.213 0.00 0.00 -0.295 N ATOM 8 C LIG 1 -1.397 -0.909 4.472 0.00 0.00 +0.154 C ATOM 9 C LIG 1 -1.370 0.293 -0.271 0.00 0.00 +0.051 A ATOM 10 C LIG 1 -3.013 0.343 2.986 0.00 0.00 +0.330 A ATOM 11 O LIG 1 -3.870 0.624 3.808 0.00 0.00 -0.246 OA ENDROOT BRANCH 6 12 ATOM 12 N LIG 1 0.340 -0.231 -1.911 0.00 0.00 -0.298 N ATOM 13 H LIG 1 -0.288 0.262 -2.540 0.00 0.00 +0.154 HD BRANCH 12 14 ATOM 14 C LIG 1 1.671 -0.193 -2.396 0.00 0.00 +0.147 A ATOM 15 C LIG 1 1.899 -0.324 -3.758 0.00 0.00 +0.099 A ATOM 16 CL LIG 1 0.641 -0.477 -4.919 0.00 0.00 -0.078 Cl ATOM 17 C LIG 1 3.214 -0.313 -4.152 0.00 0.00 +0.137 A ATOM 18 N LIG 1 4.248 -0.182 -3.298 0.00 0.00 -0.221 NA ATOM 19 C LIG 1 3.963 -0.058 -1.992 0.00 0.00 +0.220 A ATOM 20 N LIG 1 2.701 -0.065 -1.531 0.00 0.00 -0.198 NA BRANCH 19 21 ATOM 21 N LIG 1 5.011 0.123 -1.089 0.00 0.00 -0.295 N ATOM 22 C LIG 1 6.288 -0.461 -1.531 0.00 0.00 +0.139 C ATOM 23 C LIG 1 7.404 -0.118 -0.522 0.00 0.00 +0.133 C ATOM 24 C LIG 1 8.704 -0.822 -0.887 0.00 0.00 +0.039 C ATOM 25 O LIG 1 7.044 -0.532 0.810 0.00 0.00 -0.371 OA ATOM 26 C LIG 1 5.848 0.146 1.236 0.00 0.00 +0.133 C ATOM 27 C LIG 1 5.557 -0.289 2.666 0.00 0.00 +0.039 C ATOM 28 C LIG 1 4.662 -0.188 0.306 0.00 0.00 +0.139 C ENDBRANCH 19 21 ENDBRANCH 12 14 ENDBRANCH 6 12 BRANCH 1 29 ATOM 29 C LIG 1 -4.063 1.436 0.954 0.00 0.00 +0.176 C BRANCH 29 30 ATOM 30 C LIG 1 -5.057 0.609 0.104 0.00 0.00 +0.148 C ATOM 31 O LIG 1 -4.374 0.142 -1.091 0.00 0.00 -0.440 OA ATOM 32 C LIG 1 -5.175 0.338 -2.181 0.00 0.00 +0.403 C ATOM 33 O LIG 1 -4.869 -0.000 -3.311 0.00 0.00 -0.226 OA ATOM 34 N LIG 1 -6.312 1.005 -1.797 0.00 0.00 -0.267 N ATOM 35 C LIG 1 -7.209 1.621 -2.745 0.00 0.00 +0.135 C ATOM 36 C LIG 1 -6.133 1.528 -0.477 0.00 0.00 +0.160 C BRANCH 30 38 ATOM 37 C LIG 1 -6.566 -0.353 1.982 0.00 0.00 +0.008 C ATOM 38 C LIG 1 -5.636 -0.636 0.811 0.00 0.00 +0.048 C ENDBRANCH 30 38 ENDBRANCH 29 30 ENDBRANCH 1 29 TORSDOF 6