REMARK Name = BDB063435 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.121 2.113 0.181 0.00 0.00 +0.035 A ATOM 2 C LIG 1 1.812 3.108 -0.532 0.00 0.00 +0.044 A ATOM 3 C LIG 1 2.880 3.808 0.039 0.00 0.00 +0.055 A ATOM 4 CL LIG 1 3.676 5.003 -0.916 0.00 0.00 -0.083 Cl ATOM 5 C LIG 1 3.284 3.501 1.338 0.00 0.00 +0.055 A ATOM 6 C LIG 1 2.602 2.531 2.075 0.00 0.00 +0.016 A ATOM 7 C LIG 1 1.540 1.835 1.489 0.00 0.00 +0.024 A ENDROOT BRANCH 5 8 ATOM 8 C LIG 1 4.411 4.184 1.980 0.00 0.00 +0.252 C ATOM 9 N LIG 1 5.708 3.843 1.699 0.00 0.00 -0.252 N ATOM 10 H LIG 1 6.401 4.446 2.126 0.00 0.00 +0.158 HD ATOM 11 O LIG 1 4.151 5.074 2.786 0.00 0.00 -0.270 OA BRANCH 9 12 ATOM 12 C LIG 1 6.231 2.821 0.951 0.00 0.00 +0.201 A ATOM 13 N LIG 1 5.553 1.789 0.357 0.00 0.00 -0.326 N ATOM 14 H LIG 1 4.563 1.609 0.394 0.00 0.00 +0.169 HD ATOM 15 C LIG 1 6.457 0.982 -0.288 0.00 0.00 +0.068 A ATOM 16 C LIG 1 7.691 1.571 -0.038 0.00 0.00 +0.103 A ATOM 17 C LIG 1 8.852 0.975 -0.569 0.00 0.00 +0.064 A ATOM 18 C LIG 1 8.711 -0.198 -1.334 0.00 0.00 +0.015 A ATOM 19 C LIG 1 7.454 -0.763 -1.563 0.00 0.00 +0.003 A ATOM 20 C LIG 1 6.294 -0.183 -1.042 0.00 0.00 +0.028 A ATOM 21 N LIG 1 7.524 2.702 0.741 0.00 0.00 -0.214 NA BRANCH 17 22 ATOM 22 C LIG 1 10.205 1.539 -0.350 0.00 0.00 +0.244 C ATOM 23 O LIG 1 11.204 1.007 -0.818 0.00 0.00 -0.270 OA ATOM 24 N LIG 1 10.299 2.678 0.395 0.00 0.00 -0.325 N ATOM 25 H LIG 1 9.472 3.128 0.779 0.00 0.00 +0.145 HD ATOM 26 H LIG 1 11.208 3.087 0.552 0.00 0.00 +0.145 HD ENDBRANCH 17 22 ENDBRANCH 9 12 ENDBRANCH 5 8 BRANCH 1 27 ATOM 27 N LIG 1 0.105 1.410 -0.472 0.00 0.00 -0.284 N ATOM 28 H LIG 1 -0.282 1.823 -1.310 0.00 0.00 +0.155 HD BRANCH 27 31 ATOM 29 C LIG 1 -2.466 -1.030 -0.744 0.00 0.00 +0.130 A ATOM 30 N LIG 1 -1.670 0.033 -0.987 0.00 0.00 -0.199 NA ATOM 31 C LIG 1 -0.662 0.295 -0.140 0.00 0.00 +0.221 A ATOM 32 N LIG 1 -0.378 -0.459 0.928 0.00 0.00 -0.223 NA ATOM 33 C LIG 1 -1.164 -1.524 1.144 0.00 0.00 +0.118 A ATOM 34 C LIG 1 -2.220 -1.858 0.336 0.00 0.00 +0.064 A BRANCH 29 35 ATOM 35 N LIG 1 -3.537 -1.345 -1.629 0.00 0.00 -0.288 N ATOM 36 C LIG 1 -3.679 -0.380 -2.727 0.00 0.00 +0.137 C BRANCH 35 44 ATOM 37 C LIG 1 -9.508 -4.260 -0.505 0.00 0.00 +0.066 C ATOM 38 C LIG 1 -8.463 -3.297 -0.081 0.00 0.00 +0.044 A ATOM 39 N LIG 1 -8.566 -2.525 1.053 0.00 0.00 -0.270 N ATOM 40 C LIG 1 -9.663 -2.512 1.994 0.00 0.00 +0.172 C ATOM 41 N LIG 1 -7.509 -1.718 1.278 0.00 0.00 -0.171 NA ATOM 42 C LIG 1 -6.676 -1.941 0.251 0.00 0.00 +0.095 A ATOM 43 C LIG 1 -5.427 -1.366 -0.032 0.00 0.00 +0.053 A ATOM 44 C LIG 1 -4.814 -1.845 -1.219 0.00 0.00 +0.037 A ATOM 45 C LIG 1 -5.443 -2.837 -2.054 0.00 0.00 +0.024 A ATOM 46 C LIG 1 -6.697 -3.431 -1.794 0.00 0.00 +0.013 A ATOM 47 C LIG 1 -7.254 -2.932 -0.622 0.00 0.00 +0.023 A ENDBRANCH 35 44 ENDBRANCH 29 35 ENDBRANCH 27 31 ENDBRANCH 1 27 TORSDOF 7